SCHEMBL8972096

SCHEMBL8972096

CCCCC(NC(=O)[C@H](CC(C)C)NC(=O)C(F)(F)F)C(OC)OC

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.40
CTSS P25774 2/20 0.40
CTSL P07711 2/20 0.40
BIRC2 Q13490 3/20 0.37
ELANE P08246 1/20 0.37
CAPN1 P07384 1/20 0.34
PSMB5 P28074 1/20 0.34
MMP3 P08254 3/20 0.33
REN P00797 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MMP9 P14780 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
SCHEMBL8972090 0.85 BIRC2 (0.43) CTSKCTSSCTSLBIRC2MMP3
SCHEMBL8972038 0.85 ALDH1A1 (0.44) CTSKCTSSBIRC2MMP3REN
SCHEMBL8971772 0.84 BIRC2 (0.42) CTSKCTSSCTSLBIRC2PSMB5
SCHEMBL8971431 0.82 BIRC2 (0.41) CTSSBIRC2CAPN1PSMB5REN
SCHEMBL8972617 0.81 BIRC2 (0.40) CTSKCTSSCTSLBIRC2CAPN1
SCHEMBL8972083 0.77 DPP7 (0.42) CTSKBIRC2REN
SCHEMBL8972325 0.74 CTSK (0.63) CTSKCTSSCTSLCAPN1PSMB5
SCHEMBL8971543 0.73 ALDH1A1 (0.43) CTSKCTSSBIRC2MMP3REN
SCHEMBL8972471 0.72 ALDH1A1 (0.42) CTSKCTSSBIRC2REN
SCHEMBL8972538 0.72 ALDH1A1 (0.42) CTSKCTSSBIRC2MMP3REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0543310-B1 Dipeptide derivative and prophylactic and therapeutic agent for bone diseases containing the same SUNTORY LTD (JP) 1996-03-27 EP disclosed
US-5395824-A Dipeptide derivative and prophylactic and therapeutic agent for bone diseases containing the same SUNTORY LIMITED (JP) 1995-03-07 US disclosed