SCHEMBL22098478

SCHEMBL22098478

NN/C=C(\N)c1ccc(OCc2cccc(CC(=O)O)c2)cn1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 14/20 0.52
▸ CYP4A11 Q02928 14/20 0.52
▸ P4HTM Q9NXG6 1/20 0.49
▸ FFAR1 O14842 1/20 0.41
▸ MRGPRX4 Q96LA9 1/20 0.41
▸ PTPRC P08575 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ PDE5A O76074 1/20 0.40

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
SCHEMBL20730258 0.75 CYP4F2 (0.61) CYP4F2CYP4A11P4HTMFFAR1MRGPRX4
SCHEMBL14539208 0.71 PTPRC (0.64) FFAR1MRGPRX4PTPRCPTPN1
SCHEMBL11383635 0.71 P4HTM (0.73) P4HTM
SCHEMBL23488365 0.70 P4HTM (0.77) P4HTMFFAR1
SCHEMBL22098479 0.69 CYP4F2 (0.68) CYP4F2CYP4A11
SCHEMBL3503835 0.68 P4HTM (0.60) CYP4F2CYP4A11P4HTM
SCHEMBL3503834 0.68 MAOB (0.55) P4HTM
SCHEMBL22098371 0.68 CYP4F2 (0.70) CYP4F2CYP4A11
SCHEMBL23309222 0.68 CYP4F2 (1.00) CYP4F2CYP4A11
SCHEMBL20730292 0.68 CYP4F2 (1.00) 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
EP-3666766-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE Taisho Pharmaceutical Co., Ltd. (JP) 2020-06-17 — — EP disclosed
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