SCHEMBL17047896

SCHEMBL17047896

c1ccc(Oc2ccc(-c3nc(COCc4ccccn4)co3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.48
FFAR1 O14842 1/20 0.46
PPARA Q07869 4/20 0.42
PPARG P37231 3/20 0.42
TLR8 Q9NR97 1/20 0.42
MAPK14 Q16539 1/20 0.41
MMP13 P45452 1/20 0.40
SYK P43405 5/20 0.39
AURKB Q96GD4 1/20 0.39
INCENP Q9NQS7 1/20 0.39
ENPP3 O14638 1/20 0.39
ENPP1 P22413 1/20 0.39
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RIPK1 Q13546 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37

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
SCHEMBL17047891 0.89 FFAR1 (0.42) LTA4HFFAR1PPARAPPARGMAPK14
SCHEMBL17047850 0.88 SYK (0.53) FFAR1PPARAPPARGSYKAURKB
SCHEMBL17047951 0.84 PPARG (0.49) FFAR1PPARAPPARGSYKAURKB
SCHEMBL17047857 0.82 FFAR1 (0.44) FFAR1PPARAPPARGSYKAURKB
SCHEMBL17047950 0.81 ALDH1A1 (0.42) FFAR1PPARAPPARGSYKAURKB
SCHEMBL17047855 0.81 PPARA (0.41) FFAR1PPARAPPARGSYKAURKB
SCHEMBL17047944 0.81 FFAR1 (0.47) FFAR1PPARAPPARGSYKAURKB
SCHEMBL17047885 0.79 MAPT (0.41) FFAR1MAPK14SYKAURKBINCENP
SCHEMBL17047890 0.79 ACP1 (0.47) FFAR1PPARAPPARGSYKAURKB
SCHEMBL17047862 0.78 ALDH1A1 (0.47) SYKAURKBINCENPKDM4EALDH1A1

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