SCHEMBL11673357

SCHEMBL11673357

COc1cc(C(=O)c2c(-c3ccccc3)oc3ccccc23)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.62
▸ SLC22A6 Q4U2R8 1/20 0.54
▸ SLC22A8 Q8TCC7 1/20 0.54
▸ BCHE P06276 4/20 0.53
▸ CNR2 P34972 6/20 0.52
▸ KDM4E B2RXH2 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CSNK2A2 P19784 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ CSNK2B P67870 1/20 0.51
▸ CSNK2A1 P68400 1/20 0.51
▸ KMT2A Q03164 1/20 0.51

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
SCHEMBL11673907 0.86 L3MBTL1 (0.62) L3MBTL1BCHECNR2KDM4EHPGD
SCHEMBL11672853 0.84 L3MBTL1 (0.56) L3MBTL1BCHECNR2KDM4EHPGD
SCHEMBL11673920 0.81 L3MBTL1 (0.92) L3MBTL1BCHECNR2CYP2C19ATM
SCHEMBL11673894 0.81 L3MBTL1 (0.69) L3MBTL1BCHECNR2KDM4EHPGD
SCHEMBL11672097 0.78 CYP2C19 (0.67) L3MBTL1CNR2KDM4EHPGDMEN1
SCHEMBL11672355 0.78 L3MBTL1 (0.64) L3MBTL1BCHECNR2KDM4EHPGD
SCHEMBL11671924 0.78 APP (0.64) L3MBTL1BCHECNR2CNR1
SCHEMBL7068281 0.77 L3MBTL1 (0.67) L3MBTL1BCHECNR2KDM4EMEN1
SCHEMBL11844885 0.77 EYA3 (0.68) EYA3
SCHEMBL11673639 0.77 CYP2C19 (0.67) L3MBTL1BCHEKDM4EHPGDMEN1

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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