SCHEMBL10074490

SCHEMBL10074490

CC(=O)NC(Cc1ccccc1)C(O)C(=O)NCCC[S+]([O-])NCC(Cc1cc(F)ccc1F)NC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
CTSS P25774 5/20 0.38
CTSK P43235 4/20 0.38
SCN9A Q15858 2/20 0.37
KLK5 Q9Y337 1/20 0.36
APP P05067 2/20 0.36
AKT1 P31749 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CYP3A4 P08684 3/20 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
SCHEMBL10074160 0.86 DPP4 (0.36)
SCHEMBL10077474 0.86 ATM (0.40) ATMCTSSCTSKSCN9AKLK5
SCHEMBL10074474 0.84 ATM (0.43) ATMCTSSCTSKSCN9AKLK5
SCHEMBL10074341 0.84 ATM (0.43) ATMCTSSCTSKSCN9AKLK5
SCHEMBL10078269 0.83 ATM (0.41) ATMCTSSCTSKSCN9AKLK5
SCHEMBL10077403 0.83 ATM (0.41) ATMCTSSCTSKSCN9AKLK5
SCHEMBL10074981 0.81 ATM (0.41) ATMCTSSCTSKSCN9AKLK5
SCHEMBL10074304 0.81 ATM (0.41) ATMCTSSCTSKSCN9AKLK5
SCHEMBL10078272 0.80 KLK5 (0.40) ATMCTSSCTSKSCN9AKLK5
SCHEMBL6872873 0.80 ATM (0.48) ATMCTSSCTSKSCN9AKLK5

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