SCHEMBL8972090

SCHEMBL8972090

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 3/20 0.43
CTSS P25774 2/20 0.38
MMP3 P08254 6/20 0.38
MMP9 P14780 4/20 0.38
REN P00797 1/20 0.37
CTSK P43235 2/20 0.36
MMP1 P03956 1/20 0.35
PLA2G2A P14555 2/20 0.35
PLA2G5 P39877 2/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
CTSL P07711 1/20 0.35
BACE1 P56817 1/20 0.35

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
SCHEMBL8972038 0.89 ALDH1A1 (0.44) BIRC2CTSSMMP3MMP9REN
SCHEMBL8971772 0.88 BIRC2 (0.42) BIRC2CTSSMMP3MMP9REN
SCHEMBL8971431 0.87 BIRC2 (0.41) BIRC2CTSSRENPLA2G2APLA2G5
SCHEMBL8972617 0.86 BIRC2 (0.40) BIRC2CTSSMMP3MMP9REN
SCHEMBL8972096 0.85 CTSK (0.40) BIRC2CTSSMMP3MMP9REN
SCHEMBL8972083 0.81 DPP7 (0.42) BIRC2RENCTSK
SCHEMBL8972325 0.78 CTSK (0.63) CTSSCTSKCTSL
SCHEMBL8971543 0.77 ALDH1A1 (0.43) BIRC2CTSSMMP3MMP9REN
SCHEMBL8972471 0.76 ALDH1A1 (0.42) BIRC2CTSSRENCTSKBACE1
SCHEMBL8972538 0.76 ALDH1A1 (0.42) BIRC2CTSSMMP3MMP9REN

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