SCHEMBL7688469

SCHEMBL7688469

COc1cccc2c1cc(C(=O)O)n2CC(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.56
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MTNR1B P49286 8/20 0.42
MTNR1A P48039 7/20 0.42
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
JAK3 P52333 1/20 0.40
F10 P00742 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
FABP4 P15090 1/20 0.38
MCL1 Q07820 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
SCHEMBL7683717 0.85 SMN1; SMN2 (0.46) CCR2KDM4EALDH1A1MTNR1BMTNR1A
SCHEMBL7682122 0.85 CCR2 (0.40) CCR2KDM4EALDH1A1MTNR1BMTNR1A
SCHEMBL7683902 0.82 CCR2 (0.55) CCR2KDM4EALDH1A1PSEN1PSEN2
SCHEMBL699964 0.81 CCR2 (0.65) CCR2KDM4EALDH1A1MTNR1BMTNR1A
SCHEMBL3958982 0.79 CCR2 (0.56) CCR2KDM4EALDH1A1MCL1
SCHEMBL15764624 0.78 NTRK1 (0.60) CCR2KDM4EALDH1A1HSD17B10
SCHEMBL30622480 0.78 CCR2 (0.61) CCR2KDM4EALDH1A1MTNR1BMTNR1A
SCHEMBL7006463 0.77 CCR2 (0.60) CCR2KDM4EALDH1A1MTNR1BMTNR1A
SCHEMBL29035005 0.76 CCR2 (0.52) CCR2KDM4EALDH1A1MTNR1BMTNR1A
SCHEMBL14643991 0.76 NTRK1 (0.55) CCR2KDM4EALDH1A1PSEN1PSEN2

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