SCHEMBL9725783

SCHEMBL9725783

CON(C)[C@@H](CC(C)CC(=O)C(NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)OCC(C)C)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.48
CTSL P07711 10/20 0.47
CTSB P07858 4/20 0.47
REN P00797 1/20 0.46
HTRA1 Q92743 1/20 0.44
CTSK P43235 4/20 0.44
CTSS P25774 2/20 0.44
PSMB1 P20618 1/20 0.43

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
SCHEMBL9725799 0.94 CTSL (0.48) CAPN1CTSLCTSBRENHTRA1
SCHEMBL7270180 0.83 CTSL (0.51) CAPN1CTSLCTSBRENHTRA1
SCHEMBL7269500 0.83 CTSL (0.50) CAPN1CTSLCTSBHTRA1CTSK
SCHEMBL7269191 0.79 CTSL (0.61) CAPN1CTSLCTSBCTSKCTSS
SCHEMBL9725809 0.78 ALDH1A1 (0.48) CAPN1CTSLCTSBCTSKCTSS
SCHEMBL7268421 0.78 CAPN1 (0.52) CAPN1CTSLCTSBRENHTRA1
SCHEMBL7269496 0.78 CTSL (0.52) CAPN1CTSLCTSBRENHTRA1
SCHEMBL9725792 0.77 CAPN1 (0.56) CAPN1CTSLCTSBRENHTRA1
SCHEMBL7270176 0.77 CAPN1 (0.56) CAPN1CTSLCTSBRENHTRA1
SCHEMBL7275321 0.76 CAPN1 (0.51) CAPN1CTSLCTSBRENHTRA1

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