SCHEMBL8453585

SCHEMBL8453585

O=C1CC(c2ccccc2)(c2ccccc2)CO1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
CYP2C9 P11712 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
DAO P14920 1/20 0.40
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 2/20 0.38
OPRM1 P35372 2/20 0.38
CFTR P13569 1/20 0.37
GOPC Q9HD26 1/20 0.37
HTR2A P28223 1/20 0.35
EGFR P00533 1/20 0.35
TSHR P16473 1/20 0.34
DRD4 P21917 1/20 0.33

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
SCHEMBL8040557 0.78 CYP2C9 (0.48) MEN1CYP2C9KMT2ASMN1; SMN2MAPK1
SCHEMBL15116234 0.78 MMP2 (0.38) MEN1CYP2C9KMT2ALMNAALDH1A1
SCHEMBL9033971 0.72 OXTR (0.37) MEN1CYP2C9KMT2AOPRM1HTR2A
SCHEMBL10768335 0.71 CYP2C9 (0.48) MEN1CYP2C9KMT2ALMNAALDH1A1
SCHEMBL15763621 0.70 MEN1 (0.60) MEN1CYP2C9KMT2ASMN1; SMN2MAPK1
SCHEMBL27243661 0.70 OPRM1 (0.40) MEN1CYP2C9KMT2ASMN1; SMN2MAPK1
SCHEMBL12488444 0.67 OPRM1 (0.46) MEN1CYP2C9KMT2ASMN1; SMN2MAPK1
SCHEMBL576510 0.67 KMT2A (0.40) MEN1CYP2C9KMT2ASMN1; SMN2MAPK1
SCHEMBL8116256 0.67 MEN1 (0.56) MEN1CYP2C9KMT2ASMN1; SMN2MAPK1
SCHEMBL4258794 0.67 CFTR (0.45) MEN1CYP2C9KMT2ASMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0892791-A1 SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES AS PRODRUGS OF COX-2 INHIBITORS G.D. SEARLE & CO. (US) 1999-01-27 EP disclosed
EP-0804437-A1 [a]-ANNELATED PYRROLE DERIVATIVES AND PHARMACEUTICAL USES THEREOF MERCKLE GMBH (DE) 1997-11-05 EP disclosed
WO-1995032971-A1 [a]-ANNELATED PYRROLE DERIVATIVES AND PHARMACEUTICAL USES THEREOF MERCKLE GMBH (DE) 1995-12-07 WO disclosed