SCHEMBL8039631

SCHEMBL8039631

Cc1nc2cc(C(=O)O)ccc2n1Cc1cccc(Cl)c1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.68
CCR2 P41597 2/20 0.55
PLA2G2A P14555 1/20 0.54
RORC P51449 1/20 0.52
ALDH1A1 P00352 1/20 0.52
TNF P01375 1/20 0.51
HSD17B10 Q99714 1/20 0.51
PDE5A O76074 1/20 0.50

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
SCHEMBL8035707 0.88 PPARG (0.64) PPARGRORCALDH1A1HSD17B10
SCHEMBL8036225 0.88 PPARG (0.65) PPARGRORCALDH1A1
SCHEMBL31072768 0.87 PPARG (0.55) PPARGRORCALDH1A1TNFHSD17B10
SCHEMBL29342745 0.87 PPARG (0.55) PPARGRORCALDH1A1TNFHSD17B10
SCHEMBL31072749 0.85 PPARG (0.52) PPARGRORCALDH1A1HSD17B10
SCHEMBL29343406 0.85 PPARG (0.52) PPARGRORCALDH1A1HSD17B10
SCHEMBL4535196 0.85 PPARG (0.72) PPARGCCR2RORC
SCHEMBL8025849 0.84 THRB (0.65) PPARGCCR2ALDH1A1HSD17B10
SCHEMBL29343405 0.82 THRB (0.52) PPARGCCR2RORCHSD17B10
SCHEMBL2161614 0.82 PPARG (0.65) PPARGRORCALDH1A1HSD17B10

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-2009083526-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-07-09 WO disclosed