SCHEMBL8893624

SCHEMBL8893624

CCCCC(C=O)(CC)C(C)S(=O)(=O)c1ccccc1Cc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
CNR2 P34972 3/20 0.31
GPR55 Q9Y2T6 2/20 0.31
GPR18 Q14330 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
MMP2 P08253 3/20 0.31
MMP3 P08254 3/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CTSK P43235 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
SCHEMBL8202225 0.86 CNR1 (0.37) CNR1CNR2GPR55CTSK
SCHEMBL8200737 0.83 L3MBTL1 (0.36) CNR1L3MBTL1CNR2GPR55GPR18
SCHEMBL6201198 0.77 AR (0.36) CNR1L3MBTL1CNR2GPR55GPR18
SCHEMBL8892569 0.76 L3MBTL1 (0.33) CNR1L3MBTL1CNR2GPR55GPR18
SCHEMBL8893617 0.74 CNR1 (0.34) CNR1L3MBTL1CNR2GPR55GPR18
SCHEMBL8571899 0.70 ALDH1A1 (0.37) CNR1GPR55LMNAHTTCYP1A2
SCHEMBL6200633 0.67 MMP2 (0.38) CNR1L3MBTL1CNR2HTTMMP2
SCHEMBL6202055 0.66 CNR1 (0.38) CNR1CNR2GPR55CYP1A2CYP2C19
SCHEMBL6201251 0.66 LMNA (0.35) CNR1CNR2GPR55GPR18LMNA
SCHEMBL6203829 0.65 AR (0.36) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997033882-A1 NOVEL BENZOTHIEPINES HAVING ACTIVITY AS INHIBITORS OF ILEAL BILE ACID TRANSPORT AND TAUROCHOLATE UPTAKE G.D. SEARLE AND CO. (US) 1997-09-18 WO disclosed