SCHEMBL8971772

SCHEMBL8971772

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 3/20 0.42
CTSS P25774 2/20 0.38
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 0.36
PSENEN Q9NZ42 2/20 0.36
PSMB5 P28074 1/20 0.36
REN P00797 2/20 0.36
CTSK P43235 2/20 0.36
PLA2G10 O15496 1/20 0.36
CTSD P07339 1/20 0.35
MMP3 P08254 3/20 0.35
MMP9 P14780 1/20 0.35
PLA2G2A P14555 2/20 0.35
PLA2G5 P39877 2/20 0.35
CTSL P07711 1/20 0.34

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
SCHEMBL8971431 0.91 BIRC2 (0.41) BIRC2CTSSPSEN1PSEN2APH1B
SCHEMBL8972617 0.90 BIRC2 (0.40) BIRC2CTSSPSEN1PSEN2APH1B
SCHEMBL8972090 0.88 BIRC2 (0.43) BIRC2CTSSPSEN1PSEN2APH1B
SCHEMBL8972038 0.88 ALDH1A1 (0.44) BIRC2CTSSRENCTSKCTSD
SCHEMBL8972096 0.84 CTSK (0.40) BIRC2CTSSPSMB5RENCTSK
SCHEMBL8972083 0.80 DPP7 (0.42) BIRC2RENCTSK
SCHEMBL8972325 0.77 CTSK (0.63) CTSSPSMB5CTSKCTSL
SCHEMBL8971543 0.76 ALDH1A1 (0.43) BIRC2CTSSRENCTSKCTSD
SCHEMBL8972538 0.75 ALDH1A1 (0.42) BIRC2CTSSRENCTSKCTSD
SCHEMBL8972471 0.75 ALDH1A1 (0.42) BIRC2CTSSRENCTSKCTSD

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