SCHEMBL4011133

SCHEMBL4011133

CCc1nc(-c2cccc(C)c2)nc(C(C)C)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.41
LDHB P07195 1/20 0.41
FABP3 P05413 2/20 0.40
FABP4 P15090 2/20 0.40
FABP5 Q01469 2/20 0.40
RAB9A P51151 2/20 0.40
RORC P51449 1/20 0.40
MAPK14 Q16539 1/20 0.40
KMO O15229 2/20 0.40
PIN1 Q13526 1/20 0.40
HEXA P06865 1/20 0.40
HEXB P07686 1/20 0.40
NR1I3 Q14994 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KCNT1 Q5JUK3 1/20 0.38
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38

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
SCHEMBL8039244 0.87 HSD17B10 (0.42) RAB9AMAPK14HEXAHEXBKCNT1
SCHEMBL4010057 0.85 DPP4 (0.48) LDHALDHBFABP3FABP4FABP5
SCHEMBL4011136 0.82 RAB9A (0.38) RAB9ARORCMAPK14KMOPIN1
SCHEMBL4008747 0.79 KCNT1 (0.38) RAB9ARORCMAPK14HEXAHEXB
SCHEMBL4011470 0.79 FABP3 (0.45) FABP3FABP4FABP5RAB9ANPSR1
SCHEMBL5509874 0.72 KDM4E (0.55) FABP3FABP4FABP5RAB9APDE4B
SCHEMBL8038540 0.72 GCGR (0.45) RAB9AHTTDPP4DPP8DPP9
SCHEMBL11312445 0.68 KDM4E (0.57) FABP3FABP4FABP5RAB9AHEXA
SCHEMBL4005140 0.68 FABP3 (0.44) FABP3FABP4FABP5RAB9AHEXA
SCHEMBL4010066 0.68 FABP3 (0.42) FABP3FABP4FABP5RAB9ANPSR1

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