SCHEMBL9510290

SCHEMBL9510290

CCCCCCCCC/C=C/OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 1/20 0.44
▸ CNR2 P34972 1/20 0.39
▸ PLA2G2C Q5R387 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ TK1 P04183 1/20 0.37
▸ G6PD P11413 1/20 0.37
▸ FAAH O00519 4/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ALB P02768 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ EPHX2 P34913 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ TLR9 Q9NR96 1/20 0.36

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
SCHEMBL6932473 1.00 MCHR1 (0.44) MCHR1CNR2PLA2G2CALDH1A1SMN1; SMN2
SCHEMBL15226646 0.93 FAAH (0.43) MCHR1ALDH1A1CYP3A4FAAHLMNA
SCHEMBL15226645 0.93 FAAH (0.43) MCHR1ALDH1A1CYP3A4FAAHLMNA
SCHEMBL8575743 0.92 MCHR1 (0.43) MCHR1CNR2PLA2G2CALDH1A1SMN1; SMN2
SCHEMBL4865763 0.88 G6PD (0.41) MCHR1ALDH1A1SMN1; SMN2CYP2C9CYP3A4
SCHEMBL4865752 0.88 G6PD (0.41) MCHR1ALDH1A1SMN1; SMN2CYP2C9CYP3A4
SCHEMBL31425153 0.87 EPHX2 (0.48) CNR2ALDH1A1FAAHTSHRTDP1
SCHEMBL1358659 0.85 EPHX2 (0.47) CNR2ALDH1A1FAAHTSHRTDP1
SCHEMBL1914559 0.81 MCHR1 (0.43) MCHR1PLA2G2CTK1FAAHTSHR
SCHEMBL1914562 0.81 MCHR1 (0.43) MCHR1PLA2G2CTK1FAAHTSHR

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-0344779-B1 Liquid-crystalline organopolysiloxanes TORAY SILICONE CO (JP) 1993-10-20 — — EP disclosed
EP-0344779-A2 Liquid-crystalline organopolysiloxanes TORAY SILICONE COMPANY, LIMITED (JP) 1989-12-06 — — EP disclosed
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