SCHEMBL9925821

SCHEMBL9925821

CC(NC(=O)OCc1ccccc1)C(=O)NC(C)C(=O)NC(CC(N)=O)C(=O)CCl

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 3/20 0.52
▸ LGMN Q99538 4/20 0.51
▸ PSMB1 P20618 1/20 0.49
▸ MME P08473 1/20 0.48
▸ ECE1 P42892 1/20 0.48
▸ PSMB8 P28062 2/20 0.46
▸ PSMB5 P28074 2/20 0.46
▸ PSMB9 P28065 1/20 0.46
▸ CAPN1 P07384 1/20 0.46
▸ CASP1 P29466 3/20 0.46

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
SCHEMBL9901045 0.91 CASP1 (0.56) CTSKCASP1
SCHEMBL29946174 0.91 CASP1 (0.56) CTSKCASP1
SCHEMBL29397437 0.89 REN (0.55) CTSKPSMB8PSMB5PSMB9CAPN1
SCHEMBL20263591 0.89 MME (0.59) CTSKLGMNPSMB1MMEECE1
SCHEMBL19384748 0.89 MME (0.59) CTSKLGMNPSMB1MMEECE1
SCHEMBL24992811 0.89 MME (0.59) CTSKLGMNPSMB1MMEECE1
SCHEMBL20677213 0.89 MME (0.59) CTSKLGMNPSMB1MMEECE1
SCHEMBL14371944 0.89 MME (0.59) CTSKLGMNPSMB1MMEECE1
SCHEMBL28819863 0.88 MME (0.60) CTSKLGMNPSMB1MMEECE1
SCHEMBL28645693 0.88 MME (0.60) CTSKLGMNPSMB1MMEECE1

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
WO-2012076985-A2 GRANZYME B INHIBITOR COMPOSITIONS, METHODS AND USES FOR PROMOTING WOUND HEALING THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2012-06-14 — — WO disclosed
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