SCHEMBL11209608

SCHEMBL11209608

CC(C)CC([C]=O)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.71
CTSL P07711 9/20 0.71
CTSS P25774 6/20 0.71
CTSB P07858 1/20 0.69
PSMB1 P20618 1/20 0.62
PSMB5 P28074 1/20 0.62
PSMB2 P49721 1/20 0.62

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
SCHEMBL6014223 1.00 CTSK (0.71) CTSKCTSLCTSSCTSBPSMB1
SCHEMBL7618462 0.93 CTSK (0.74) CTSKCTSLCTSSCTSB
SCHEMBL20609249 0.92 CTSK (0.73) CTSKCTSLCTSSCTSB
SCHEMBL20609250 0.92 CTSK (0.73) CTSKCTSLCTSSCTSB
SCHEMBL3959352 0.90 CTSK (0.61) CTSKCTSLCTSSCTSB
SCHEMBL2147583 0.90 CTSK (0.61) CTSKCTSLCTSSCTSB
SCHEMBL4660369 0.90 CTSK (0.61) CTSKCTSLCTSSCTSB
SCHEMBL10610800 0.89 CTSK (0.63) CTSKCTSLCTSSCTSB
SCHEMBL10610794 0.89 CTSK (0.63) CTSKCTSLCTSSCTSB
SCHEMBL20609256 0.88 CTSK (0.71) CTSKCTSLCTSSCTSB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0040435-B1 PEPTIDE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Eisai Co., Ltd. (JP) 1983-07-20 EP claimed
EP-0040435-A1 Peptide derivatives and process for the preparation thereof Eisai Co., Ltd. (JP) 1981-11-25 EP claimed
EP-0040435-B1 PEPTIDE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Eisai Co., Ltd. (JP) 1983-07-20 EP disclosed
EP-0040435-A1 Peptide derivatives and process for the preparation thereof Eisai Co., Ltd. (JP) 1981-11-25 EP disclosed