SCHEMBL1023883

SCHEMBL1023883

C=Cc1ccc(CSCC(O)CSCc2ccc(C=C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
MAPT P10636 2/20 0.31
TP53 P04637 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL27745037 0.85 CYP2D6 (0.40) CYP2D6CYP1A2CYP2C19ALDH1A1TDP1
SCHEMBL5066949 0.83 ALDH1A1 (0.55) CYP2D6CYP1A2CYP2C19ALDH1A1TDP1
SCHEMBL28477144 0.81 ALDH1A1 (0.42) CYP2D6CYP1A2CYP2C19ALDH1A1TDP1
SCHEMBL15292600 0.80 ALDH1A1 (0.38) CYP2D6CYP1A2CYP2C19ALDH1A1TSHR
SCHEMBL15958306 0.80 CYP2D6 (0.46) CYP2D6CYP1A2CYP2C19ALDH1A1TSHR
SCHEMBL1025083 0.80 CYP2D6 (0.36) CYP2D6CYP1A2CYP2C19ALDH1A1
SCHEMBL6389194 0.79 ALDH1A1 (0.50) CYP2D6CYP1A2CYP2C19ALDH1A1TDP1
SCHEMBL1025233 0.79 TP53 (0.39) CYP2D6CYP1A2CYP2C19ALDH1A1TDP1
SCHEMBL8995212 0.78 ALDH1A1 (0.48) CYP2D6CYP1A2CYP2C19ALDH1A1TDP1
SCHEMBL15958304 0.78 CYP2D6 (0.41) CYP2D6CYP1A2CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642718-B2 Curable composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2014-02-04 US disclosed
EP-1882713-B1 CURABLE COMPOSITION MITSUBISHI GAS CHEMICAL CO (JP) 2013-07-03 EP disclosed
US-8394920-B2 Composition for resin and optical lens obtained therefrom MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-03-12 US disclosed
US-8013084-B2 Manufacturing method and apparatus of optical material SEIKO EPSON CORPORATION (JP) 2011-09-06 US disclosed
EP-1398317-B1 ALICYCLIC COMPOUND FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2011-01-12 EP disclosed
US-20100331515-A1 COMPOSITION FOR RESIN AND OPTICAL LENS OBTAINED THEREFROM MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2010-12-30 US disclosed
EP-2243798-A1 COMPOSITION FOR RESIN AND OPTICAL LENS OBTAINED THEREFROM Mitsubishi Gas Chemical Company, Inc. (JP) 2010-10-27 EP disclosed
EP-1319966-B1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2010-05-26 EP disclosed
EP-1378535-B1 POLYMERIZATION REGULATORS AND COMPOSITIONS FOR RESIN MITSUBISHI GAS CHEMICAL CO (JP) 2009-11-11 EP disclosed
EP-1524289-B1 POLYMERIZABLE COMPOSITION, OPTICAL MATERIAL COMPRISING THE COMPOSITION AND METHOD FOR PRODUCING THE MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2009-09-16 EP disclosed
US-6201061-B1 CURING A RESIN FOR OPTICAL USE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2001-03-13 US disclosed
US-6197226-B1 COMPRISING DIPPING RESIN INTO A LIQUID CONTAINING POLAR COMPOUND SELECTED FROM POLAR INORGANIC COMPOUNDS AND POLAR ORGANIC COMPOUNDS AND TINTING RESIN, WHEREIN RESIN IS OBTAINED BY CURING BY POLYMERIZATION A SULFUR CONTAINING COMPOUND MITSUBISHI GAS CHEMICAL COMPANY (JP) 2001-03-06 US disclosed
US-6180753-B1 ADDING ACIDS, CURING AND SOLIDIFICATION WITH CASTING MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2001-01-30 US disclosed
US-6130307-A POLY(THIO)URETHANES MITSUBISHI GAS CHEMICAL CO., INC. (JP) 2000-10-10 US disclosed
EP-0980696-A1 Process for treating a compound having epithio structures for disposal MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2000-02-23 EP disclosed
EP-0978513-A1 Ether compound and cured resin using the same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2000-02-09 EP disclosed
EP-0950905-A2 Process for producing a novel resin for optical materials having excellent color tone and transparency MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1999-10-20 EP disclosed
EP-0936233-A2 Composition for a resin MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1999-08-18 EP disclosed
EP-0928802-A2 Process for tinting a resin having a large refractivity index and optical material tinted by the process MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1999-07-14 EP disclosed
EP-0921417-A2 Epoxy/episulfide resin compositions for optical materials MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1999-06-09 EP disclosed