SCHEMBL11735403

SCHEMBL11735403

CC(C)(C)c1cc(C(=O)c2c(-c3ccc(O)cc3)oc3ccccc23)cc(C(C)(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.54
▸ EYA3 Q99504 5/20 0.50
▸ CYP2C19 P33261 4/20 0.50
▸ ALDH1A1 P00352 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ USP2 O75604 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ FTO Q9C0B1 1/20 0.48
▸ SLC22A12 Q96S37 1/20 0.47
▸ ATM Q13315 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ PTPN1 P18031 3/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ RAB9A P51151 1/20 0.44

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
SCHEMBL11724754 0.89 L3MBTL1 (0.62) L3MBTL1EYA3CYP2C19ALDH1A1HSD17B10
SCHEMBL11728862 0.84 L3MBTL1 (0.57) L3MBTL1EYA3CYP2C19ALDH1A1HSD17B10
SCHEMBL11727292 0.82 L3MBTL1 (0.56) L3MBTL1EYA3CYP2C19ALDH1A1HSD17B10
SCHEMBL11734608 0.82 L3MBTL1 (0.64) L3MBTL1EYA3CYP2C19ALDH1A1HSD17B10
SCHEMBL11726436 0.81 L3MBTL1 (0.54) L3MBTL1EYA3CYP2C19ALDH1A1HSD17B10
SCHEMBL11737393 0.81 L3MBTL1 (0.54) L3MBTL1EYA3CYP2C19ALDH1A1HSD17B10
SCHEMBL11672912 0.80 EYA3 (0.66) L3MBTL1EYA3CYP2C19ALDH1A1HSD17B10
SCHEMBL11724757 0.80 EYA3 (0.66) L3MBTL1EYA3CYP2C19ALDH1A1HSD17B10
SCHEMBL11674647 0.79 L3MBTL1 (0.52) L3MBTL1EYA3CYP2C19ALDH1A1HSD17B10
SCHEMBL11672355 0.79 L3MBTL1 (0.64) L3MBTL1EYA3CYP2C19ALDH1A1HSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4001426-A HAVING CORONARY VASODILATOR ACTIVITY SMITHKLINE CORPORATION (US) 1977-01-04 — — US disclosed
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