SCHEMBL4079256

SCHEMBL4079256

Cc1cccc(C(=O)Nc2cccc(OC3CCN(C(=O)O)C(CC(C)C)C3)c2)c1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTTP P55157 10/20 0.40
APOB P04114 9/20 0.40
SMO Q99835 8/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CFD P00746 1/20 0.38
KLK7 P49862 1/20 0.38
ACACB O00763 1/20 0.37

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
SCHEMBL5298934 0.90 SMO (0.43) MTTPAPOBSMOCFDKLK7
SCHEMBL4079252 0.88 MTTP (0.40) MTTPAPOBSMONPC1RAB9A
SCHEMBL3289783 0.84 SMO (0.46) MTTPAPOBSMONPC1RAB9A
SCHEMBL3289751 0.83 NAMPT (0.46) MTTPAPOBSMONPC1RAB9A
SCHEMBL3293823 0.82 NTRK1 (0.44) MTTPAPOBSMONPC1RAB9A
SCHEMBL3288633 0.82 EPHX2 (0.48) MTTPAPOBSMONPC1RAB9A
SCHEMBL3288774 0.82 MTTP (0.44) MTTPAPOBSMONPC1RAB9A
SCHEMBL13360719 0.82 MTTP (0.42) MTTPAPOBSMONPC1RAB9A
SCHEMBL3289661 0.81 SMO (0.44) MTTPAPOBSMONPC1RAB9A
SCHEMBL3288902 0.81 EPHX1 (0.46) MTTPAPOBSMONPC1RAB9A

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
EP-1753721-B1 AROYL-O-PIPERIDINE DERIVATIVES FOR THE TREATMENT OF DIABETES-RELATED PROBLEMS MERCK PATENT GMBH (DE) 2009-08-05 EP disclosed