SCHEMBL20730306

SCHEMBL20730306

O=C(O)/C=C/c1cccc(CCOc2ccc(-c3ccn[nH]3)cc2)c1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 17/20 0.77
▸ CYP4A11 Q02928 17/20 0.77
▸ ESR1 P03372 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP19A1 P11511 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ PKM P14618 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
SCHEMBL23309455 0.87 CYP4F2 (1.00) CYP4F2CYP4A11
SCHEMBL22098528 0.80 CYP4F2 (0.58) CYP4F2CYP4A11CYP1A2CYP3A4CYP2D6
SCHEMBL22098260 0.77 CYP4F2 (0.76) CYP4F2CYP4A11
SCHEMBL22070620 0.76 CYP4F2 (1.00) CYP4F2CYP4A11
SCHEMBL14653855 0.76 LTA4H (0.68) CYP4F2CYP4A11CYP1A2CYP3A4CYP2D6
SCHEMBL23309275 0.75 CYP4F2 (1.00) CYP4F2CYP4A11
SCHEMBL20730174 0.73 CYP4F2 (0.78) CYP4F2CYP4A11
SCHEMBL1449041 0.73 FFAR1 (0.59) CYP4F2CYP4A11
SCHEMBL1449039 0.73 FFAR1 (0.59) CYP4F2CYP4A11
SCHEMBL22098421 0.73 CYP4F2 (0.59) CYP4F2CYP4A11

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
WO-2019031618-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE 大正製薬株式会社 2019-02-14 — — WO disclosed
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