SCHEMBL9065217

SCHEMBL9065217

CCOC(=O)/C=C/c1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 19/20 0.54
PPARA Q07869 18/20 0.54
PTPN1 P18031 1/20 0.48
PPARD Q03181 1/20 0.48

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
SCHEMBL9065220 1.00 PPARG (0.54) PPARGPPARAPTPN1PPARD
SCHEMBL6183006 0.87 PPARG (0.58) PPARGPPARAPTPN1PPARD
SCHEMBL6183000 0.87 PPARG (0.58) PPARGPPARAPTPN1PPARD
SCHEMBL6967143 0.82 PPARG (0.67) PPARGPPARAPPARD
SCHEMBL6967147 0.82 PPARG (0.67) PPARGPPARAPPARD
SCHEMBL7737627 0.77 PPARG (0.70) PPARGPPARAPPARD
SCHEMBL5760687 0.76 PPARG (0.58) PPARGPPARA
SCHEMBL5760684 0.76 PPARG (0.58) PPARGPPARA
SCHEMBL5760033 0.76 PPARG (0.58) PPARGPPARA
SCHEMBL4888353 0.76 PPARA (0.57) PPARGPPARAPPARD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8325250-A None JP disclosed
JP-H08325250-A NEW SUBSTITUTED PHENOL DERIVATIVE SUMITOMO METAL IND LTD 1996-12-10 JP disclosed