SCHEMBL11672853

SCHEMBL11672853

Cc1cc(C(=O)c2c(-c3ccccc3)oc3ccccc23)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.56
▸ EYA3 Q99504 3/20 0.55
▸ CYP2C19 P33261 5/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ CNR2 P34972 4/20 0.47
▸ GAA P10253 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46

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
SCHEMBL11673108 0.87 CYP2C19 (0.64) L3MBTL1EYA3CYP2C19CYP2C9MEN1
SCHEMBL11673907 0.84 L3MBTL1 (0.62) L3MBTL1CYP2C19KDM4EALDH1A1HPGD
SCHEMBL11673357 0.84 L3MBTL1 (0.62) L3MBTL1EYA3CYP2C19CYP2C9MEN1
SCHEMBL11672097 0.81 CYP2C19 (0.67) L3MBTL1CYP2C19CYP2C9MEN1KMT2A
SCHEMBL11672355 0.81 L3MBTL1 (0.64) L3MBTL1EYA3CYP2C19CYP2C9MEN1
SCHEMBL7068281 0.80 L3MBTL1 (0.67) L3MBTL1EYA3CYP2C19MEN1KMT2A
SCHEMBL11673639 0.80 CYP2C19 (0.67) L3MBTL1EYA3CYP2C19CYP2C9MEN1
SCHEMBL11727292 0.80 L3MBTL1 (0.56) L3MBTL1EYA3CYP2C19CYP2C9MEN1
SCHEMBL9444916 0.80 CYP2C19 (0.77) EYA3CYP2C19CYP2C9MEN1KMT2A
SCHEMBL11724757 0.76 EYA3 (0.66) L3MBTL1EYA3CYP2C19CYP2C9MEN1

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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