SCHEMBL11673096

SCHEMBL11673096

COc1ccc(C(=O)c2c(-c3cc(C)cc(C)c3)oc3ccccc23)cc1

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.79
▸ CYP2C19 P33261 1/20 0.67
▸ CNR2 P34972 14/20 0.62
▸ ATM Q13315 1/20 0.60
▸ CNR1 P21554 8/20 0.60
▸ CYP2C9 P11712 1/20 0.59
▸ BCHE P06276 5/20 0.59
▸ CYP3A4 P08684 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ CASP1 P29466 1/20 0.55
▸ CASP7 P55210 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL11726697 0.90 L3MBTL1 (0.79) L3MBTL1CYP2C19CNR2ATMCNR1
SCHEMBL11671790 0.89 L3MBTL1 (0.90) L3MBTL1CYP2C19CNR2ATMCNR1
SCHEMBL11736681 0.89 L3MBTL1 (0.90) L3MBTL1CYP2C19CNR2ATMCNR1
SCHEMBL11673920 0.87 L3MBTL1 (0.92) L3MBTL1CYP2C19CNR2ATMCNR1
SCHEMBL11672638 0.86 EYA3 (0.64) L3MBTL1CYP2C19CNR2CYP2C9
SCHEMBL11735500 0.85 L3MBTL1 (0.92) L3MBTL1CYP2C19CNR2ATMCNR1
SCHEMBL11725573 0.83 L3MBTL1 (0.61) L3MBTL1CYP2C19CNR2ATMCNR1
SCHEMBL11724570 0.83 L3MBTL1 (0.88) L3MBTL1CYP2C19CNR2ATMCNR1
SCHEMBL11673374 0.83 L3MBTL1 (0.88) L3MBTL1CYP2C19CNR2ATMCNR1
SCHEMBL11728474 0.83 L3MBTL1 (0.88) L3MBTL1CYP2C19CNR2ATMCNR1

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
US-4024273-A Coronary vasodilator and anti-anginal compositions comprising substituted benzofurans and benzothiophenes and methods of producing coronary vasodilation and anti-anginal activity SMITHKLINE CORPORATION (US) 1977-05-17 — — US disclosed
US-3947470-A CORONARY VASODILATORS, TREATMENT OF ANGINA PECTORIS SMITHKLINE CORPORATION (US) 1976-03-30 — — US disclosed
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