SCHEMBL20730258

SCHEMBL20730258

Cc1ccc(OCc2cccc(CC(=O)O)c2)cn1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 10/20 0.61
▸ CYP4A11 Q02928 10/20 0.61
▸ FFAR1 O14842 1/20 0.51
▸ P4HTM Q9NXG6 1/20 0.49
▸ PTPRC P08575 1/20 0.49
▸ PTPN1 P18031 1/20 0.49
▸ MRGPRX4 Q96LA9 3/20 0.48
▸ RXRB P28702 1/20 0.46
▸ TP53 P04637 2/20 0.46
▸ PKM P14618 2/20 0.46
▸ NFKB1 P19838 2/20 0.46
▸ NFKB2 Q00653 2/20 0.46
▸ RELA Q04206 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ MAOB P27338 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
SCHEMBL14539208 0.79 PTPRC (0.64) FFAR1PTPRCPTPN1MRGPRX4RXRB
SCHEMBL228033 0.79 P4HTM (0.58) P4HTMSMN1; SMN2RAB9AMAOB
SCHEMBL22098479 0.77 CYP4F2 (0.68) CYP4F2CYP4A11
SCHEMBL23309222 0.76 CYP4F2 (1.00) CYP4F2CYP4A11
SCHEMBL20730292 0.76 CYP4F2 (1.00) CYP4F2CYP4A11
SCHEMBL22098371 0.76 CYP4F2 (0.70) CYP4F2CYP4A11
SCHEMBL22070661 0.76 CYP4F2 (1.00) CYP4F2CYP4A11
SCHEMBL22098478 0.75 CYP4F2 (0.52) CYP4F2CYP4A11FFAR1P4HTMPTPRC
SCHEMBL13460872 0.74 FFAR1 (0.68) FFAR1MAOB
SCHEMBL22070884 0.74 MAOB (0.57) CYP4F2CYP4A11FFAR1P4HTMPTPRC

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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