SCHEMBL8971431

SCHEMBL8971431

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 3/20 0.41
PLA2G10 O15496 2/20 0.40
PSMB5 P28074 4/20 0.39
CTSS P25774 1/20 0.37
PLA2G2A P14555 2/20 0.36
PLA2G5 P39877 2/20 0.36
CTSD P07339 2/20 0.36
PRSS1 P07477 1/20 0.36
CTSG P08311 1/20 0.36
CTRB1 P17538 1/20 0.36
CMA1 P23946 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
REN P00797 1/20 0.36
CAPN1 P07384 1/20 0.36
NOD1 Q9Y239 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
SCHEMBL8971772 0.91 BIRC2 (0.42) BIRC2PLA2G10PSMB5CTSSPLA2G2A
SCHEMBL8972617 0.89 BIRC2 (0.40) BIRC2PLA2G10CTSSCTSDCTSG
SCHEMBL8972038 0.87 ALDH1A1 (0.44) BIRC2CTSSCTSDREN
SCHEMBL8972090 0.87 BIRC2 (0.43) BIRC2CTSSPLA2G2APLA2G5PSEN1
SCHEMBL8972096 0.82 CTSK (0.40) BIRC2PSMB5CTSSRENCAPN1
SCHEMBL8972083 0.79 DPP7 (0.42) BIRC2REN
SCHEMBL8972325 0.76 CTSK (0.63) PSMB5CTSSCAPN1
SCHEMBL8971543 0.75 ALDH1A1 (0.43) BIRC2CTSSPLA2G2APLA2G5CTSD
SCHEMBL7326002 0.75 BIRC2 (0.56) BIRC2PLA2G10PSMB5NOD1
SCHEMBL7335344 0.74 BIRC2 (0.55) BIRC2PLA2G10PSMB5PLA2G2APLA2G5

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