SCHEMBL560689

SCHEMBL560689

CC(C(=O)O)=C(C#N)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.43
CES1 P23141 3/20 0.43
ALDH1A1 P00352 5/20 0.43
MAPT P10636 4/20 0.43
RAB9A P51151 4/20 0.43
LMNA P02545 2/20 0.43
XBP1 P17861 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MAPK1 P28482 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
TSHR P16473 2/20 0.39
DAO P14920 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 2/20 0.38
KDM4E B2RXH2 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6654920 0.85 CPT1B (0.45) CES2ALDH1A1MAPTLMNACYP1A2
SCHEMBL6654922 0.85 CPT1B (0.45) CES2ALDH1A1MAPTLMNACYP1A2
SCHEMBL311166 0.79 CYP2C19 (0.59) CES2CES1ALDH1A1MAPTRAB9A
SCHEMBL2767938 0.79 THRB (0.50) CES2CES1ALDH1A1MAPTRAB9A
SCHEMBL14194446 0.79 KMT2A (0.46) CES2CES1ALDH1A1MAPTRAB9A
SCHEMBL8544845 0.79 KMT2A (0.46) CES2CES1ALDH1A1MAPTRAB9A
SCHEMBL8544848 0.79 KMT2A (0.46) CES2CES1ALDH1A1MAPTRAB9A
SCHEMBL6418982 0.78 KMT2A (0.52) CES2CES1ALDH1A1MAPTRAB9A
SCHEMBL79975 0.78 KMT2A (0.52) CES2CES1ALDH1A1MAPTRAB9A
SCHEMBL1898420 0.78 KMT2A (0.52) CES2CES1ALDH1A1MAPTRAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0745621-B1 Polymerisable composition based on thio(meth)acrylate monomer, transparent polymer compositions and their optical use ESSILOR INT (FR) 1998-04-15 EP claimed
EP-0745621-A1 Polymerisable composition based on thio(meth)acrylate monomer, transparent polymer compositions and their optional use ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 1996-12-04 EP claimed
EP-1579521-B1 CURABLE COMPOSITION, CURED PRODUCT THEREOF, MOLDED PRODUCT THEREOF AND USE AS FUEL CELL SEPARATOR SHOWA DENKO KK (JP) 2018-04-11 EP disclosed
US-20160017076-A1 CURABLE COMPOSITION, TRANSPARENT HEAT-RESISTANT MATERIAL, AND USE THEREOF SHOWA DENKO K.K. (JP) 2016-01-21 US disclosed
US-8747703-B2 Electrically conducting curable resin composition, cured product thereof and method for producing the same SHOWA DENKO K.K. (JP) 2014-06-10 US disclosed
US-8518524-B2 Transparent composite material SHOWA DENKO K.K. (JP) 2013-08-27 US disclosed
US-8460501-B2 Cured film and method for production thereof SHOWA DENKO K.K. (JP) 2013-06-11 US disclosed
US-8119039-B2 Transparent conductive substrate SHOWA DENKO K.K. (JP) 2012-02-21 US disclosed
US-20120034397-A1 TRANSPARENT COMPOSITE MATERIAL SHOWA DENKO K.K. (JP) 2012-02-09 US disclosed
US-8053501-B2 Curable composition, cured product thereof, molded product thereof and use as fuel cell separator SHOWA DENKO K.K. (JP) 2011-11-08 US disclosed
US-20110180762-A1 ELECTRICALLY CONDUCTING CURABLE RESIN COMPOSITION, CURED PRODUCT THEREOF AND METHOD FOR PRODUCING THE SAME SHOWA DENKO K.K. (JP) 2011-07-28 US disclosed
US-20050171270-A1 Conductive curable resin composition and separator for fuel cell SHOWA DENKO K.K. 2005-08-04 US disclosed
US-6472488-B2 MONOMERS CONTAIN THIO-CONTAINING HETEROCYCLES; USE IN MANUFACTURE OF WAVEGUIDES, OPTICAL FIBERS AND SPECTACLE LENSES ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2002-10-29 US disclosed
EP-0901486-B1 NOVEL (THIO)(METH)ACRYLATE MONOMERS, INTERMEDIATE COMPOUNDS FOR THE SYNTHESIS OF THESE MONOMERS, POLYMERISABLE COMPOSITIONS AND RESULTING POLYMERS AND OPTICAL AND OPHTHALMOLOGIC APPLICATIONS THEREOF ESSILOR INT (FR) 2001-09-26 EP disclosed
EP-0901486-A1 NOVEL (THIO)(METH)ACRYLATE MONOMERS, INTERMEDIATE COMPOUNDS FOR THE SYNTHESIS OF THESE MONOMERS, POLYMERISABLE COMPOSITIONS AND RESULTING POLYMERS AND OPTICAL AND OPHTHALMOLOGIC APPLICATIONS THEREOF ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 1999-03-17 EP disclosed
WO-1998035955-A1 NOVEL (THIO)(METH)ACRYLATE MONOMERS, INTERMEDIATE COMPOUNDS FOR THE SYNTHESIS OF THESE MONOMERS, POLYMERISABLE COMPOSITIONS AND RESULTING POLYMERS AND OPTICAL AND OPHTHALMOLOGIC APPLICATIONS THEREOF ESSILOR INTERNATIONAL - COMPAGNIE GENERALE D'OPTIQUE (FR) 1998-08-20 WO disclosed
EP-0745621-B1 Polymerisable composition based on thio(meth)acrylate monomer, transparent polymer compositions and their optical use ESSILOR INT (FR) 1998-04-15 EP disclosed
EP-0745620-B1 Polymerisable compositions based on thio(meth)acrylate monomers, polymers having low yellowness index made from these compositions and ophthalmic lenses made therefrom ESSILOR INT (FR) 1997-10-29 EP disclosed
EP-0745621-A1 Polymerisable composition based on thio(meth)acrylate monomer, transparent polymer compositions and their optional use ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 1996-12-04 EP disclosed
EP-0745620-A1 Polymerisable compositions based on thio(meth)acrylate monomers, polymers having low yellowness index made from these compositions and ophthalmic lenses made therefrom ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 1996-12-04 EP disclosed