SCHEMBL8200737

SCHEMBL8200737

CCCCCCNc1ccc(S(=O)(=O)C(C)C(C=O)(CC)CCCC)c(Cc2ccccc2)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
CNR2 P34972 4/20 0.36
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
ABL1 P00519 1/20 0.32
CNR1 P21554 2/20 0.32
GPR55 Q9Y2T6 2/20 0.32
GPR18 Q14330 1/20 0.32
MMP2 P08253 10/20 0.31
MMP3 P08254 8/20 0.31
MMP1 P03956 7/20 0.31
MMP7 P09237 6/20 0.31
SIGMAR1 Q99720 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
SCHEMBL8202225 0.83 CNR1 (0.37) CNR2CNR1GPR55
SCHEMBL8893624 0.83 CNR1 (0.33) L3MBTL1CNR2CNR1GPR55GPR18
SCHEMBL6201326 0.82 L3MBTL1 (0.37) L3MBTL1CNR2HDAC11HDAC8ABL1
SCHEMBL8200735 0.79 L3MBTL1 (0.37) L3MBTL1CNR2HDAC11HDAC8ABL1
SCHEMBL8193843 0.67 MMP1 (0.34) CNR2CNR1GPR55GPR18MMP1
SCHEMBL8892569 0.65 L3MBTL1 (0.33) L3MBTL1CNR2CNR1GPR55GPR18
SCHEMBL9279589 0.65 LMNA (0.39) L3MBTL1
SCHEMBL6201097 0.64 CNR1 (0.38) CNR2CNR1GPR55
SCHEMBL6716613 0.64 L3MBTL1 (0.47) L3MBTL1MMP1SIGMAR1
SCHEMBL6201198 0.62 AR (0.36) L3MBTL1CNR2CNR1GPR55GPR18

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-0971744-A2 COMBINATION THERAPY EMPLOYING ILEAL BILE ACID TRANSPORT INHIBITING BENZOTHIEPINES AND HMG Co-A REDUCTASE INHIBITORS G.D. SEARLE & CO. (US) 2000-01-19 EP disclosed
WO-1998040375-A2 COMBINATION OF ILEAL BILE ACID TRANSPORT INHIBITING BENZOTHIEPINES AND HMG Co-A REDUCTASE INHIBITORS G.D. SEARLE & CO. (US) 1998-09-17 WO disclosed