SCHEMBL12464485

SCHEMBL12464485

NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccc(I)cc1)NC(=O)[C@@H](N)Cc1ccc(O)c(I)c1

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSC P53634 3/20 0.47

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
SCHEMBL12464361 0.88 CTSC (0.53) CTSC
SCHEMBL12464294 0.78 OPRM1 (0.57)
SCHEMBL12464483 0.77 FCER2 (0.52) CTSC
SCHEMBL12464201 0.76 CTSC (0.52) CTSC
SCHEMBL29465522 0.75 ERAP2 (0.53)
SCHEMBL22649189 0.73 CTSC (0.60) CTSC
SCHEMBL10049933 0.73 CTSC (0.60) CTSC
SCHEMBL29372257 0.73 CTSC (0.60) CTSC
SCHEMBL22925587 0.73 CTSC (0.60) CTSC
SCHEMBL9711289 0.73 FOLH1 (0.58)

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-20110183358-A1 METHODS AND COMPOSITIONS FOR DEREPRESSION OF IAP-INHIBITED CASPASE THE BURNHAM INSTITUTE (US) 2011-07-28 US disclosed