SCHEMBL9725737

SCHEMBL9725737

CC(C)CC(NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)SC(C)C)[C@@H](O)c1nccs1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.50
CTSL P07711 3/20 0.47
CTSB P07858 2/20 0.47
CTSK P43235 3/20 0.46
CAPN1 P07384 2/20 0.46
PTPRB P23467 1/20 0.45
CTSS P25774 1/20 0.44

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
SCHEMBL9725827 0.88 REN (0.45) RENCTSLCTSBCTSKCTSS
SCHEMBL7269371 0.87 REN (0.51) RENCTSLCTSBCAPN1CTSS
SCHEMBL7269368 0.87 REN (0.51) RENCTSLCTSBCAPN1CTSS
SCHEMBL7284859 0.87 REN (0.51) RENCTSLCTSBCTSKCAPN1
SCHEMBL7284863 0.87 REN (0.51) RENCTSLCTSBCTSKCAPN1
SCHEMBL7275371 0.85 REN (0.50) RENCTSLCTSBCTSKCAPN1
SCHEMBL9725771 0.82 REN (0.47) RENCTSLCTSBCTSKCAPN1
SCHEMBL9725765 0.81 CTSL (0.47) RENCTSLCTSBCTSKPTPRB
SCHEMBL7269828 0.79 REN (0.61) RENCTSBCTSK
SCHEMBL7275366 0.79 REN (0.45) RENCTSLCTSBCTSKCAPN1

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-5106835-A Hypotensive agents AMERICAN CYANAMID COMPANY (US) 1992-04-21 US disclosed