SCHEMBL3661576

SCHEMBL3661576

C=CCc1ccc[c]c1S

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.41
GABRB2 P47870 3/20 0.41
AKR1B1 P15121 1/20 0.33
ALDH1A1 P00352 3/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
MAPT P10636 2/20 0.31
ALOX5 P09917 1/20 0.31
CNR2 P34972 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP3A4 P08684 3/20 0.31
CYP1A2 P05177 1/20 0.31
ALOX15 P16050 2/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
ALOX12 P18054 1/20 0.31

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
SCHEMBL176260 0.78 GABRA1 (0.42) GABRA1GABRB2AKR1B1ALDH1A1MAPT
SCHEMBL9854766 0.77 GABRA1 (0.39) GABRA1GABRB2AKR1B1ALDH1A1KDM4E
SCHEMBL5091335 0.76 GABRA1 (0.41) GABRA1GABRB2AKR1B1ALDH1A1MAPT
SCHEMBL1515067 0.76 GABRA1 (0.41) GABRA1GABRB2AKR1B1ALDH1A1MAPT
SCHEMBL4789832 0.76 GABRA1 (0.41) GABRA1GABRB2AKR1B1ALDH1A1MAPT
SCHEMBL1638775 0.76 GABRA1 (0.50) GABRA1GABRB2AKR1B1ALDH1A1PPARG
SCHEMBL5454296 0.76 GABRA1 (0.41) GABRA1GABRB2AKR1B1ALDH1A1PPARG
SCHEMBL7761703 0.76 GABRA1 (0.41) GABRA1GABRB2AKR1B1ALDH1A1MAPT
SCHEMBL11838516 0.76 ALDH1A1 (0.39) GABRA1GABRB2ALDH1A1PPARGPPARD
SCHEMBL7395144 0.73 GABRA1 (0.39) GABRA1GABRB2AKR1B1ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7833665-B2 Polysiloxane compound containing sulfonic acid groups, method of preparing the same and fuel cell including the same SAMSUNG SDI CO., LTD. (KR) 2010-11-16 US disclosed
US-20070196713-A1 Polysiloxane compound containing sulfonic acid groups, method of preparing the same and fuel cell including the same SAMSUNG SDI CO., LTD. (KR) 2007-08-23 US disclosed
US-4523012-A INTERMEDIATES FOR PRODUCTION OF D,L-CYSTEINE AND DERIVATIVES DEGUSSA AKTIENGESELLSCHAFT (DE) 1985-06-11 US disclosed