SCHEMBL3035558

SCHEMBL3035558

C=C(C)C(=O)c1ccccn1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.69
CES1 P23141 1/20 0.69
ALDH1A1 P00352 2/20 0.64
L3MBTL1 Q9Y468 2/20 0.55
LMNA P02545 2/20 0.55
NAPRT Q6XQN6 1/20 0.55
P4HTM Q9NXG6 1/20 0.55
KDM4E B2RXH2 5/20 0.50
KMT2A Q03164 3/20 0.50
GSK3B P49841 1/20 0.48
RAB9A P51151 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 2/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CTNNB1 P35222 1/20 0.44
WNT3A P56704 1/20 0.44
MAPK1 P28482 1/20 0.44
NPC1 O15118 4/20 0.43
MAPT P10636 2/20 0.43

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
SCHEMBL6219587 0.83 CES2 (0.75) CES2CES1ALDH1A1L3MBTL1LMNA
SCHEMBL29466797 0.83 CES2 (1.00) CES2CES1ALDH1A1L3MBTL1LMNA
SCHEMBL29466796 0.83 CES2 (1.00) CES2CES1ALDH1A1L3MBTL1LMNA
SCHEMBL211487 0.83 CES2 (1.00) CES2CES1ALDH1A1L3MBTL1LMNA
Hydrochloric Acid SCHEMBL28413498 0.82 CES2 (0.72) CES2CES1ALDH1A1L3MBTL1LMNA
2-Picolinic Acid SCHEMBL28065051 0.81 LMNA (0.74) CES2CES1ALDH1A1L3MBTL1LMNA
SCHEMBL27039751 0.79 CES2 (0.62) CES2CES1ALDH1A1L3MBTL1LMNA
Ethylene SCHEMBL27628336 0.79 ALDH1A1 (0.91) CES2CES1ALDH1A1L3MBTL1LMNA
SCHEMBL29976899 0.79 CES2 (0.82) CES2CES1ALDH1A1L3MBTL1LMNA
SCHEMBL30736102 0.79

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10138312-B2 Protein adhesion inhibitor AGC Inc. (JP) 2018-11-27 US disclosed
US-20170101497-A1 PROTEIN ADHESION INHIBITOR ASAHI GLASS COMPANY, LIMITED (JP) 2017-04-13 US disclosed
US-7763365-B2 Light emitting material and organic light-emitting device SHOWA DENKO K.K. (JP) 2010-07-27 US disclosed
US-7736757-B2 Light emitting material and organic light-emitting device SHOWA DENKO K.K. (JP) 2010-06-15 US disclosed
US-7635527-B2 Light emitting material and organic light-emitting device SHOWA DENKO K.K. (JP) 2009-12-22 US disclosed
EP-1407501-B1 LIGHT EMITTING MATERIAL AND ORGANIC LIGHT-EMITTING DEVICE SHOWA DENKO KK (JP) 2009-05-20 EP disclosed
US-20080290792-A1 LIGHT EMITTING MATERIAL AND ORGANIC LIGHT-EMITTING DEVICE SHOWA DENKO K.K. (JP) 2008-11-27 US disclosed
US-20080290793-A1 LIGHT EMITTING MATERIAL AND ORGANIC LIGHT-EMITTING DEVICE SHOWA DENKO K.K. (JP) 2008-11-27 US disclosed
US-7396598-B2 Light emitting material and organic light-emitting device SHOWA DENKO K.K. (JP) 2008-07-08 US disclosed
US-20080152947-A1 LIGHT EMITTING MATERIAL AND ORGANIC LIGHT-EMITTING DEVICE SHOWA DENKO K.K. (JP) 2008-06-26 US disclosed
WO-2007041341-A2 IDENTIFICATION OF ANTI-CANCER COMPOUNDS AND COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE AND METHODS OF TREATMENT THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2007-04-12 WO disclosed
EP-0636683-B1 Electrorheological fluid NIPPON CATALYTIC CHEM IND (JP) 2005-05-04 EP disclosed
US-20040247934-A1 Light emitting material and organic light-emitting device SAMSUNG ELECTRONICS CO., LTD (KR) 2004-12-09 US disclosed
US-RE35773-E SILOXANE-ADDITION POLYMER COMPOSITE NIPPON SHOKUBAI CO., LTD. (JP) 1998-04-21 US disclosed
US-5558803-A ADDITION-CONDENSATION GRAFT COPOLYMERS FOR DIELECTRIC PARTICLES AND INSULATING LIQUIDS NIPPON SHOKUBAI CO., LTD. (JP) 1996-09-24 US disclosed
US-5376294-A A dielectric particle and a polysiloxane/acrylic ester additive in a dielectric dispersant medium; large shear stress and low current density; stability; nonsettling NIPPON SHOKUBAI CO., LTD. (JP) 1994-12-27 US disclosed