SCHEMBL7328043

SCHEMBL7328043

CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)OC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.49
CTSL P07711 6/20 0.41
CTSB P07858 6/20 0.41
REN P00797 1/20 0.40
PSMB5 P28074 2/20 0.38
CTSH P09668 2/20 0.38
PSMB1 P20618 1/20 0.37
PSMB2 P49721 1/20 0.37

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
SCHEMBL7330719 0.84 REN (0.44) RENPSMB5
SCHEMBL7334255 0.84 REN (0.41) RENPSMB5
SCHEMBL7380626 0.79 CTSK (0.59) CTSKCTSLCTSBPSMB5CTSH
SCHEMBL7324534 0.77 CTSK (0.61) CTSKCTSLCTSBPSMB5
SCHEMBL5712420 0.76 CTSK (0.57) CTSKCTSLCTSBCTSH
SCHEMBL8387889 0.76 CTSK (0.57) CTSKCTSLCTSBCTSH
SCHEMBL8695376 0.76 CTSK (0.57) CTSKCTSLCTSBCTSH
SCHEMBL7326205 0.76 ALDH1A1 (0.46) REN
SCHEMBL8972183 0.76 CTSK (0.57) CTSKCTSLCTSBCTSH
SCHEMBL7335561 0.75 CTSK (0.60) CTSKCTSLCTSBPSMB5CTSH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5510531-A ANTIINFLAMMATROY AGENTS, MUSCULAR DISORDERS SUNTORY LIMITED (JP) 1996-04-23 US disclosed
EP-0393457-B1 Proteinase inhibitor SUNTORY LTD (JP) 1994-07-06 EP disclosed
US-5081284-A N-Oxomethyl-Substituted Peptide SUNTORY LIMITED (JP) 1992-01-14 US disclosed