SCHEMBL11674647

SCHEMBL11674647

CC(C)(C)c1cc(C(=O)c2c(-c3ccccc3)oc3ccccc23)cc(C(C)(C)C)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.52
▸ CYP2C19 P33261 4/20 0.48
▸ EYA3 Q99504 4/20 0.48
▸ MEN1 O00255 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ KDM4E B2RXH2 4/20 0.48
▸ LMNA P02545 3/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ CA12 O43570 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ ABCB1 P08183 1/20 0.48
▸ CALM1 P0DP23 1/20 0.48
▸ AR P10275 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ CYP1B1 Q16678 1/20 0.48
▸ CA9 Q16790 1/20 0.48

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 0.83 CYP2C19 (0.64) L3MBTL1CYP2C19EYA3MEN1KMT2A
SCHEMBL11181979 0.81 CYP2C19 (0.67) L3MBTL1CYP2C19EYA3MEN1KMT2A
SCHEMBL1287589 0.80 EYA3 (0.71) CYP2C19EYA3MEN1KMT2ALMNA
SCHEMBL7068281 0.79 L3MBTL1 (0.67) L3MBTL1CYP2C19EYA3MEN1KMT2A
SCHEMBL11735403 0.79 L3MBTL1 (0.54) L3MBTL1CYP2C19EYA3MEN1KMT2A
SCHEMBL11673128 0.78 APP (0.61) MEN1KMT2ALMNACYP3A4MAPK1
SCHEMBL11672355 0.77 L3MBTL1 (0.64) L3MBTL1CYP2C19EYA3MEN1KMT2A
SCHEMBL11673639 0.76 CYP2C19 (0.67) L3MBTL1CYP2C19EYA3MEN1KMT2A
SCHEMBL9195719 0.76 EYA3 (0.73) CYP2C19EYA3MEN1KMT2ALMNA
SCHEMBL9287304 0.76 EYA3 (0.53) CYP2C19EYA3MEN1KMT2ALMNA

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
Send feedback