SCHEMBL7334255

SCHEMBL7334255

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.41
PSMB5 P28074 1/20 0.38
CPB2 Q96IY4 1/20 0.36
CAPN1 P07384 1/20 0.36
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CTSS P25774 1/20 0.35
NAAA Q02083 1/20 0.34
EPHX2 P34913 2/20 0.34
CAPN9 O14815 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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 0.85 REN (0.44) RENPSMB5CPB2CAPN9HDAC4
SCHEMBL7328043 0.84 CTSK (0.49) RENPSMB5
SCHEMBL7371455 0.78 CAPN1 (0.42) PSMB5CAPN1CTSS
SCHEMBL7326205 0.76 ALDH1A1 (0.46) RENCPB2NAAAALDH1A1
SCHEMBL7335551 0.76 CTSK (0.53) RENPSMB5CAPN1GAAL3MBTL1
SCHEMBL28564205 0.75 ALDH1A1 (0.47) CTSSALDH1A1
SCHEMBL8972235 0.75 ALDH1A1 (0.47) CTSSALDH1A1
SCHEMBL7333180 0.74 CTSK (0.41) PSMB5CAPN1CTSS
SCHEMBL4367034 0.74 ALDH1A1 (0.46) CTSSALDH1A1
SCHEMBL7333185 0.73 CAPN1 (0.43) PSMB5CAPN1CTSS

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
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
EP-0393457-A1 Proteinase inhibitor SUNTORY LIMITED (JP) 1990-10-24 EP disclosed