SCHEMBL7683902

SCHEMBL7683902

CC(C)(C)OC(=O)Cn1c(C(=O)O)cc2c(C(F)(F)F)cccc21

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 7/20 0.55
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LDHA P00338 2/20 0.41
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
KMT2A Q03164 1/20 0.37
NTRK1 P04629 1/20 0.36
MCL1 Q07820 1/20 0.35
APEX1 P27695 1/20 0.35
PTGES O14684 1/20 0.35

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
SCHEMBL7688469 0.82 CCR2 (0.56) CCR2ALDH1A1KDM4EPSEN1PSEN2
SCHEMBL699773 0.81 CCR2 (0.63) CCR2ALDH1A1KDM4ELDHAPTGDR2
SCHEMBL3958982 0.78 CCR2 (0.56) CCR2ALDH1A1KDM4EKMT2AMCL1
SCHEMBL7681815 0.75 CCR2 (0.55) CCR2PTGDR2NTRK1
SCHEMBL27308876 0.74 CCR2 (0.55) CCR2ALDH1A1LDHAKMT2AMCL1
SCHEMBL7682122 0.74 CCR2 (0.40) CCR2ALDH1A1KDM4EKMT2A
SCHEMBL29812990 0.74 CCR2 (0.54) CCR2ALDH1A1KDM4ELDHAMCL1
SCHEMBL8347 0.73 LDHA (0.66) CCR2LDHA
SCHEMBL14643991 0.73 NTRK1 (0.55) CCR2ALDH1A1KDM4EPSEN1PSEN2
SCHEMBL15762231 0.73 NTRK1 (0.57) ALDH1A1KDM4EPTGDR2NTRK1

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