SCHEMBL7679772

SCHEMBL7679772

CC(C)(C)OC(=O)Cn1c(C(=O)O)cc2cc(NC(=O)OC(C)(C)C)ccc21

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 1/20 0.45
CACNA1B Q00975 1/20 0.42
ECE1 P42892 9/20 0.40
PLA2G4A P47712 1/20 0.40
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
NR1I3 Q14994 1/20 0.38
SERPINE1 P05121 1/20 0.38
CCR2 P41597 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
SCHEMBL7682472 0.82 GPR35 (0.48) CACNA1BPLA2G4ALTB4RLTB4R2CCR2
SCHEMBL6002236 0.82 SERPINE1 (0.43) CACNA1BECE1PLA2G4ALTB4RLTB4R2
SCHEMBL7684876 0.81 CCR2 (0.51) CACNA1BPLA2G4ALTB4RLTB4R2CCR2
SCHEMBL7677750 0.80 PLA2G4A (0.49) CACNA1BPLA2G4ALTB4RLTB4R2CCR2
SCHEMBL3958982 0.79 CCR2 (0.56) PLA2G4ALTB4RLTB4R2CCR2
SCHEMBL7681815 0.79 CCR2 (0.55) CACNA1BPLA2G4ALTB4RLTB4R2CCR2
SCHEMBL7679776 0.77 CACNA1B (0.40) CACNA1BPLA2G4ALTB4RLTB4R2CCR2
SCHEMBL7677561 0.77 GPR35 (0.44) CACNA1BPLA2G4ALTB4RLTB4R2CCR2
SCHEMBL7684946 0.75 NTRK1 (0.52) CACNA1BPLA2G4ALTB4RLTB4R2CCR2
SCHEMBL1882734 0.74 ACSS2 (0.46) ACSS2

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