SCHEMBL8892569

SCHEMBL8892569

CCCCC(C=O)(CC)C(C)Sc1ccccc1Cc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.33
CNR1 P21554 3/20 0.32
HTT P42858 2/20 0.32
LMNA P02545 1/20 0.32
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
CNR2 P34972 2/20 0.31
SIGMAR1 Q99720 1/20 0.31
TSHR P16473 1/20 0.31
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSK P43235 1/20 0.30
GPR18 Q14330 1/20 0.30
GPR55 Q9Y2T6 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
SCHEMBL8571899 0.84 ALDH1A1 (0.37) CNR1HTTLMNACYP1A2CYP2C9
SCHEMBL7826432 0.80 POLB (0.36) CYP1A2CYP2C9CYP2C19CNR2TSHR
SCHEMBL8893624 0.76 CNR1 (0.33) L3MBTL1CNR1HTTLMNAMMP2
SCHEMBL6201251 0.74 LMNA (0.35) CNR1HTTLMNACYP1A2CYP2C9
SCHEMBL8892564 0.73 LMNA (0.34) CNR1HTTLMNACNR2GPR18
SCHEMBL8202225 0.68 CNR1 (0.37) CNR1CNR2CTSKGPR55
SCHEMBL8201728 0.67 P2RX4 (0.34) L3MBTL1HTTLMNACYP2C9CNR2
SCHEMBL6201198 0.66 AR (0.36) L3MBTL1CNR1HTTLMNACNR2
SCHEMBL8893617 0.63 CNR1 (0.34) L3MBTL1CNR1HTTLMNACNR2
SCHEMBL7026728 0.62 CSNK1E (0.47) MMP2MMP3

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