SCHEMBL7682472

SCHEMBL7682472

Cc1ccc2c(c1)cc(C(=O)O)n2CC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.48
CACNA1B Q00975 1/20 0.47
CCR9 P51686 1/20 0.46
PLA2G4A P47712 2/20 0.43
CCR2 P41597 5/20 0.42
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
GFER P55789 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL7684876 0.86 CCR2 (0.51) GPR35CACNA1BPLA2G4ACCR2LTB4R
SCHEMBL6703456 0.85 GPR35 (0.51) GPR35CCR9CCR2KDM4EALDH1A1
SCHEMBL7677750 0.85 PLA2G4A (0.49) GPR35CACNA1BCCR9PLA2G4ACCR2
SCHEMBL3958982 0.84 CCR2 (0.56) GPR35PLA2G4ACCR2LTB4RLTB4R2
SCHEMBL7677561 0.84 GPR35 (0.44) GPR35CACNA1BCCR9PLA2G4ACCR2
SCHEMBL7681815 0.84 CCR2 (0.55) CACNA1BCCR9PLA2G4ACCR2LTB4R
SCHEMBL7684727 0.83 F10 (0.46) CACNA1BLTB4RLTB4R2KDM4EALDH1A1
SCHEMBL7679772 0.82 ACSS2 (0.45) CACNA1BPLA2G4ACCR2LTB4RLTB4R2
SCHEMBL7683854 0.81 CACNA1B (0.39) GPR35CACNA1BCCR9CCR2KDM4E
SCHEMBL7684946 0.80 NTRK1 (0.52) GPR35CACNA1BCCR9PLA2G4ACCR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6380230-B1 FOR THERAPY OF DYSKINESIA, OBESITY, IRRITABLE BOWEL SYNDROME, DISEASES WHOSE TREATMENT REQUIRES STIMULATION OF THE CHOLECYSTOKININ CCK-A RECEPTORS SANOFI-SYNTHELABO (FR) 2002-04-30 US disclosed