SCHEMBL12464201

SCHEMBL12464201

NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC1CCCCC1)NC(=O)[C@@H](N)Cc1ccc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSC P53634 2/20 0.52
F2R P25116 2/20 0.48
FCER2 P06734 1/20 0.47
REN P00797 1/20 0.45

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
SCHEMBL12464464 0.78 CTSC (0.54) CTSCFCER2
SCHEMBL12464088 0.77 CTSC (0.53) CTSCFCER2
SCHEMBL12464086 0.77 CTSC (0.51) CTSCFCER2
SCHEMBL14534320 0.77 CTSC (0.51) CTSCFCER2
SCHEMBL12464474 0.77 CTSC (0.58) CTSC
SCHEMBL14639989 0.77 CTSC (0.51) CTSCFCER2
SCHEMBL30995920 0.77 FCER2 (0.63) CTSCFCER2
SCHEMBL12464485 0.76 CTSC (0.47) CTSC
SCHEMBL12464483 0.74 FCER2 (0.52) CTSCFCER2
SCHEMBL12464481 0.74 MC5R (0.59)

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