SCHEMBL11673907

SCHEMBL11673907

COc1ccc(C(=O)c2c(-c3ccccc3)oc3ccccc23)cc1C

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.62
▸ BCHE P06276 5/20 0.53
▸ CNR2 P34972 8/20 0.52
▸ ATM Q13315 1/20 0.50
▸ CYP2C19 P33261 2/20 0.49
▸ CNR1 P21554 4/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ ABCG2 Q9UNQ0 1/20 0.47

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
SCHEMBL11673357 0.86 L3MBTL1 (0.62) L3MBTL1BCHECNR2ATMCYP2C19
SCHEMBL11672097 0.85 CYP2C19 (0.67) L3MBTL1CNR2ATMCYP2C19CNR1
SCHEMBL11672853 0.84 L3MBTL1 (0.56) L3MBTL1BCHECNR2ATMCYP2C19
SCHEMBL11673920 0.81 L3MBTL1 (0.92) L3MBTL1BCHECNR2ATMCYP2C19
SCHEMBL11673108 0.81 CYP2C19 (0.64) L3MBTL1BCHECNR2CYP2C19CNR1
SCHEMBL11672311 0.81 APP (0.68) BCHECNR2CNR1
SCHEMBL11673894 0.81 L3MBTL1 (0.69) L3MBTL1BCHECNR2ATMCYP2C19
SCHEMBL11671924 0.78 APP (0.64) L3MBTL1BCHECNR2CNR1
SCHEMBL7068281 0.77 L3MBTL1 (0.67) L3MBTL1BCHECNR2ATMCYP2C19
SCHEMBL11840655 0.77 EYA3 (0.65) CYP2C19

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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