SCHEMBL4010057

SCHEMBL4010057

CCc1nc(-c2ccc(C)cc2)nc(C(C)C)c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.48
DPP8 Q6V1X1 7/20 0.48
DPP9 Q86TI2 6/20 0.48
ADORA3 P0DMS8 2/20 0.39
ADORA1 P30542 1/20 0.39
NPC1 O15118 1/20 0.38
XBP1 P17861 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GCGR P47871 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
CTRC Q99895 1/20 0.36
LDHA P00338 1/20 0.36
LDHB P07195 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 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
SCHEMBL4011470 0.88 FABP3 (0.45) DPP4DPP8DPP9ADORA3NPC1
SCHEMBL8038540 0.86 GCGR (0.45) DPP4DPP8DPP9ADORA3ADORA1
SCHEMBL4011133 0.85 LDHA (0.41) DPP4DPP8DPP9ADORA3HTT
SCHEMBL4010060 0.81 DPP4 (0.36) DPP4DPP8DPP9ADORA3ADORA1
SCHEMBL4009023 0.81 DPP4 (0.42) DPP4DPP8DPP9ADORA3ADORA1
SCHEMBL4009387 0.77 DPP4 (0.44) DPP4DPP8DPP9ADORA3ADORA1
SCHEMBL4011273 0.77 ADORA3 (0.38) DPP4DPP8DPP9ADORA3ADORA1
SCHEMBL4005140 0.76 FABP3 (0.44) ADORA3NPC1RAB9ANPSR1LMNA
SCHEMBL4010066 0.76 FABP3 (0.42) ADORA3NPC1RAB9ANPSR1POLB
SCHEMBL8024870 0.74 GCGR (0.44) ADORA3NPC1RAB9ANPSR1GCGR

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