SCHEMBL8200735

SCHEMBL8200735

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
CNR2 P34972 4/20 0.36
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
MMP1 P03956 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
ABL1 P00519 1/20 0.32
CNR1 P21554 3/20 0.32
GPR55 Q9Y2T6 2/20 0.32
GPR18 Q14330 1/20 0.32
EPHX2 P34913 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
AR P10275 1/20 0.31
PLK1 P53350 3/20 0.30
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30
SIRT5 Q9NXA8 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
SCHEMBL6201326 0.92 L3MBTL1 (0.37) L3MBTL1CNR2HDAC11HDAC8MMP1
SCHEMBL8193843 0.88 MMP1 (0.34) CNR2MMP1MMP9MMP13CNR1
SCHEMBL8202222 0.83 CNR1 (0.38) CNR2MMP1MMP13CNR1GPR55
SCHEMBL8893617 0.82 CNR1 (0.34) L3MBTL1CNR2MMP1MMP9MMP13
SCHEMBL6201511 0.79 AR (0.35) CNR2MMP1MMP9MMP13CNR1
SCHEMBL8200737 0.79 L3MBTL1 (0.36) L3MBTL1CNR2HDAC11HDAC8MMP1
SCHEMBL8204279 0.78 ALDH1A1 (0.39) CNR1GPR55
SCHEMBL8570819 0.75 CNR1 (0.33) L3MBTL1CNR2CNR1GPR55AR
SCHEMBL6201097 0.74 CNR1 (0.38) CNR2CNR1GPR55
SCHEMBL6201198 0.73 AR (0.36) L3MBTL1CNR2MMP1MMP9MMP13

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