SCHEMBL7688499

SCHEMBL7688499

COc1cc2cc(C(=O)O)n(CC(=O)OC(C)(C)C)c2cn1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 6/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GPR35 Q9HC97 4/20 0.40
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
PLA2G4A P47712 1/20 0.37
ACSS2 Q9NR19 1/20 0.36
CACNA1B Q00975 1/20 0.36
CCR2 P41597 1/20 0.36
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL7684569 0.84 KDM4E (0.42) KDM4EALDH1A1ACSS2LTB4RLTB4R2
SCHEMBL3750423 0.81 GPR35 (0.58) CCR9KDM4EALDH1A1GPR35ACSS2
SCHEMBL7677561 0.80 GPR35 (0.44) CCR9KDM4EALDH1A1GPR35PLA2G4A
SCHEMBL7682472 0.78 GPR35 (0.48) CCR9KDM4EALDH1A1GPR35PLA2G4A
SCHEMBL7684946 0.76 NTRK1 (0.52) CCR9KDM4EALDH1A1GPR35PLA2G4A
SCHEMBL3958982 0.75 CCR2 (0.56) KDM4EALDH1A1GPR35PLA2G4ACCR2
SCHEMBL7684876 0.75 CCR2 (0.51) KDM4EALDH1A1GPR35PLA2G4ACACNA1B
SCHEMBL7677750 0.74 PLA2G4A (0.49) CCR9GPR35PLA2G4ACACNA1BCCR2
SCHEMBL7681815 0.73 CCR2 (0.55) CCR9PLA2G4ACACNA1BCCR2LTB4R
SCHEMBL28848963 0.72 KDM4E (0.40) CCR9KDM4EALDH1A1GPR35ACSS2

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