SCHEMBL10074727

SCHEMBL10074727

CC(C)(CNC(=O)C[C@@H](Cc1cc(F)ccc1F)NC(=O)OCc1ccccc1)CNC(=O)[C@@H](O)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.42
KLK5 Q9Y337 4/20 0.41
CTSS P25774 4/20 0.40
REN P00797 2/20 0.39
PPARA Q07869 2/20 0.38
SCN9A Q15858 2/20 0.38
CTSK P43235 2/20 0.37
KLK7 P49862 2/20 0.36
CTSD P07339 1/20 0.36
BACE1 P56817 1/20 0.36
PPARG P37231 1/20 0.36
PSMB1 P20618 1/20 0.36
RAB9A P51151 1/20 0.35
PTPN1 P18031 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL10078394 1.00 SYK (0.42) SYKKLK5CTSSRENPPARA
SCHEMBL10074252 1.00 SYK (0.42) SYKKLK5CTSSRENPPARA
SCHEMBL10074141 0.97 CTSS (0.42) SYKKLK5CTSSRENPPARA
SCHEMBL10074460 0.97 CTSS (0.42) SYKKLK5CTSSRENPPARA
SCHEMBL10074997 0.96 PSMB1 (0.38) SYKKLK5CTSSRENCTSK
SCHEMBL10074153 0.96 PSMB1 (0.38) SYKKLK5CTSSRENCTSK
SCHEMBL10078062 0.94 CTSS (0.40) SYKKLK5CTSSRENPPARA
SCHEMBL10074726 0.92 CTSS (0.39) SYKKLK5CTSSRENSCN9A
SCHEMBL10077385 0.92 CTSS (0.39) SYKKLK5CTSSRENSCN9A
SCHEMBL10077059 0.92 CTSS (0.39) SYKKLK5CTSSRENSCN9A

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-2418196-A1 Dual alanyl-aminopeptidase and dipeptidyl-peptidase IV inhibitors IMTM GmbH (DE) 2012-02-15 EP disclosed