SCHEMBL22098528

SCHEMBL22098528

O=C(O)/C=C/c1ccc(CCOc2ccc(-c3ccn[nH]3)cc2)cc1C1CC1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 18/20 0.58
▸ CYP4A11 Q02928 18/20 0.58
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP19A1 P11511 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42

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
SCHEMBL20730306 0.80 CYP4F2 (0.77) CYP4F2CYP4A11CYP1A2CYP3A4CYP2D6
SCHEMBL23309269 0.73 CYP4F2 (1.00) CYP4F2CYP4A11
SCHEMBL22098432 0.68 CYP4F2 (0.76) CYP4F2CYP4A11CYP1A2CYP3A4CYP2D6
SCHEMBL22098365 0.68 CYP4F2 (0.73) CYP4F2CYP4A11CYP1A2CYP3A4CYP2D6
SCHEMBL23309275 0.68 CYP4F2 (1.00) CYP4F2CYP4A11
SCHEMBL23309455 0.68 CYP4F2 (1.00) CYP4F2CYP4A11
SCHEMBL14653855 0.67 LTA4H (0.68) CYP4F2CYP4A11CYP1A2CYP3A4CYP2D6
SCHEMBL22098548 0.66 CYP4F2 (0.80) CYP4F2CYP4A11
SCHEMBL14129967 0.65 CYP1A2 (0.62) CYP4F2CYP4A11CYP1A2CYP3A4CYP2D6
SCHEMBL14653751 0.64 CYP3A4 (0.61) CYP4F2CYP4A11CYP1A2CYP3A4CYP2D6

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
EP-3666766-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE Taisho Pharmaceutical Co., Ltd. (JP) 2020-06-17 — — EP disclosed
Send feedback