SCHEMBL4010066

SCHEMBL4010066

CCCC(C)c1nc(-c2ccc(Cl)cc2)nc(CC)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 2/20 0.42
FABP4 P15090 2/20 0.42
FABP5 Q01469 2/20 0.42
ADORA3 P0DMS8 2/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 2/20 0.40
F2 P00734 2/20 0.40
MAPT P10636 2/20 0.40
SELPLG Q14242 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RXRA P19793 3/20 0.39
NR4A2 P43354 2/20 0.39
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
CTRC Q99895 1/20 0.38
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
NPSR1 Q6W5P4 2/20 0.37
MAPK1 P28482 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
SCHEMBL4011470 0.88 FABP3 (0.45) FABP3FABP4FABP5ADORA3KMT2A
SCHEMBL8027046 0.87 ADORA3 (0.41) ADORA3KMT2ASMN1; SMN2KDM4EF2
SCHEMBL4005140 0.84 FABP3 (0.44) FABP3FABP4FABP5ADORA3KMT2A
SCHEMBL4010068 0.83 PPARG (0.40) ADORA3KMT2ASMN1; SMN2KDM4EF2
SCHEMBL4007857 0.80 FABP3 (0.45) FABP3FABP4FABP5ADORA3KMT2A
SCHEMBL5961069 0.79 FABP3 (0.49) FABP3FABP4FABP5ADORA3KMT2A
SCHEMBL8030010 0.77 RXRA (0.47) FABP3FABP4FABP5ADORA3KMT2A
SCHEMBL8033374 0.77 KDM4E (0.50) FABP3FABP4ADORA3KMT2ASMN1; SMN2
SCHEMBL4010057 0.76 DPP4 (0.48) FABP3FABP4FABP5ADORA3KDM4E
SCHEMBL8024870 0.75 GCGR (0.44) ADORA3KMT2ASMN1; SMN2KDM4EF2

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-2009080248-A1 SUBSTITUTED 2-PHENYLPYRIMIDINE-5-CARBOXYLIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-02 WO disclosed
WO-2009080248-A1 SUBSTITUTED 2-PHENYLPYRIMIDINE-5-CARBOXYLIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-02 WO disclosed