SCHEMBL22098340

SCHEMBL22098340

CC(C)(Cc1ccc(COc2ccc(-c3ccn[nH]3)cc2)cc1)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 18/20 0.74
▸ CYP4A11 Q02928 18/20 0.74
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP19A1 P11511 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ SLC13A5 Q86YT5 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
SCHEMBL23309449 0.85 CYP4F2 (1.00) CYP4F2CYP4A11
SCHEMBL22098270 0.79 CYP4F2 (0.61) CYP4F2CYP4A11SLC13A5
SCHEMBL30903818 0.78 SCN4A (0.64) CYP4F2CYP4A11CYP1A2CYP3A4CYP2D6
SCHEMBL5326113 0.78 PPARG (0.59) CYP4F2CYP4A11CYP1A2CYP2C19
SCHEMBL16803313 0.75 NPC1 (0.76) CYP4F2CYP4A11CYP1A2CYP3A4CYP2D6
SCHEMBL22098432 0.75 CYP4F2 (0.76) CYP4F2CYP4A11CYP1A2CYP3A4CYP2D6
SCHEMBL15918403 0.75 LTA4H (0.72) CYP4F2CYP4A11CYP1A2CYP3A4CYP2D6
SCHEMBL22098225 0.73 CYP1A2 (0.51) CYP4F2CYP4A11CYP1A2CYP3A4CYP2D6
SCHEMBL31530183 0.73 CYP1A2 (0.51) CYP4F2CYP4A11CYP1A2CYP3A4CYP2D6
SCHEMBL15917653 0.73 CYP4F2 (0.68) 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
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