SCHEMBL12464200

SCHEMBL12464200

NC(=O)[C@H](Cc1cccs1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSC P53634 1/20 0.56
ECE1 P42892 1/20 0.49
PSMB8 P28062 1/20 0.49
PSMB9 P28065 1/20 0.49

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
SCHEMBL12464471 0.92 CTSC (0.51) CTSCECE1PSMB8PSMB9
SCHEMBL12464194 0.89 CTSC (0.67) CTSCECE1
SCHEMBL12464198 0.83 MC5R (0.59)
SCHEMBL12464202 0.83 MC5R (0.59)
SCHEMBL12464481 0.83 MC5R (0.59)
SCHEMBL12464203 0.82
SCHEMBL12464474 0.81 CTSC (0.58) CTSC
SCHEMBL12464482 0.79 MC5R (0.54)
SCHEMBL12464363 0.78
SCHEMBL12464361 0.78 CTSC (0.53) CTSC

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