SCHEMBL17047951

SCHEMBL17047951

CC(C)Oc1ccc(-c2nc(COCc3ccccn3)co2)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.49
PPARA Q07869 6/20 0.49
FFAR1 O14842 1/20 0.42
SYK P43405 8/20 0.39
AURKB Q96GD4 1/20 0.39
INCENP Q9NQS7 1/20 0.39
TP53 P04637 2/20 0.39
ENPP3 O14638 1/20 0.36
ENPP1 P22413 1/20 0.36
NOTUM Q6P988 1/20 0.36
ADAMTS4 O75173 1/20 0.36

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
SCHEMBL17047850 0.87 SYK (0.53) PPARGPPARAFFAR1SYKAURKB
SCHEMBL17047855 0.86 PPARA (0.41) PPARGPPARAFFAR1SYKAURKB
SCHEMBL17047896 0.84 LTA4H (0.48) PPARGPPARAFFAR1SYKAURKB
SCHEMBL17047857 0.82 FFAR1 (0.44) PPARGPPARAFFAR1SYKAURKB
SCHEMBL17047883 0.82 PPARG (0.45) PPARGPPARAFFAR1SYKAURKB
SCHEMBL17047950 0.81 ALDH1A1 (0.42) PPARGPPARAFFAR1SYKAURKB
SCHEMBL17047899 0.80 ERBB2 (0.40) PPARGPPARATP53
SCHEMBL17047897 0.80 ERBB2 (0.40) PPARGPPARATP53
SCHEMBL17047944 0.80 FFAR1 (0.47) PPARGPPARAFFAR1SYKAURKB
SCHEMBL17047885 0.79 MAPT (0.41) FFAR1SYKAURKBINCENPTP53

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
WO-2015129755-A1 NOVEL COMPOUND AND TEXTURE IMPROVER CONTAINING SAID COMPOUND 味の素株式会社 2015-09-03 WO disclosed
WO-2015129755-A1 NOVEL COMPOUND AND TEXTURE IMPROVER CONTAINING SAID COMPOUND 味の素株式会社 2015-09-03 WO disclosed