SCHEMBL7796151

SCHEMBL7796151

CO[Si](CCCSc1nc2ccccc2s1)(OC)OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.65
CYP2D6 P10635 3/20 0.65
ALDH1A1 P00352 4/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
KDM4E B2RXH2 2/20 0.61
GFER P55789 1/20 0.61
CYP2C19 P33261 3/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2C9 P11712 1/20 0.58
STAT6 P42226 1/20 0.58
HTR1A P08908 1/20 0.58
HTR2A P28223 1/20 0.58
HTR7 P34969 1/20 0.58
MAPK1 P28482 2/20 0.56
HIF1A Q16665 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ALOX5 P09917 3/20 0.55
HSD17B10 Q99714 2/20 0.54
HPGD P15428 2/20 0.53
POLB P06746 1/20 0.53

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
SCHEMBL31021011 0.89 CYP1A2 (0.65) CYP1A2CYP2D6ALDH1A1SMN1; SMN2KDM4E
SCHEMBL8827202 0.86 FBP1 (0.59) CYP1A2CYP2D6ALDH1A1SMN1; SMN2KDM4E
SCHEMBL31186501 0.86 FBP1 (0.59) CYP1A2CYP2D6ALDH1A1SMN1; SMN2KDM4E
SCHEMBL8826688 0.84 FBP1 (0.53) CYP1A2CYP2D6ALDH1A1SMN1; SMN2KDM4E
SCHEMBL444940 0.83 FBP1 (0.52) CYP1A2CYP2D6ALDH1A1SMN1; SMN2KDM4E
SCHEMBL29651869 0.83 FBP1 (0.52) CYP1A2CYP2D6ALDH1A1SMN1; SMN2KDM4E
SCHEMBL8826525 0.83 FBP1 (0.58) CYP1A2CYP2D6ALDH1A1SMN1; SMN2KDM4E
SCHEMBL27190217 0.83 FBP1 (0.52) CYP1A2CYP2D6ALDH1A1SMN1; SMN2KDM4E
SCHEMBL8826858 0.82 FBP1 (0.51) CYP1A2CYP2D6ALDH1A1SMN1; SMN2KDM4E
SCHEMBL8826557 0.82 FBP1 (0.51) CYP1A2CYP2D6ALDH1A1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0775725-B1 HYDROGENATED RUBBER COMPOSITION ASAHI CHEMICAL IND (JP) 2001-05-02 EP claimed
US-4292234-A TRIALKOXYSILYL-AZIDES, -THIOSULFENAMIDES, SILACYCLOALKYL-MERCAPTANS, AND/OR -DISULFIDES; COUPLING PHILLIPS PETROLEUM CO. (US) 1981-09-29 US disclosed