SCHEMBL8972291

SCHEMBL8972291

CCCCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)CC(=O)OCC

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.61
CTSS P25774 4/20 0.57
CTSL P07711 4/20 0.57
CTSB P07858 2/20 0.56
CAPN1 P07384 3/20 0.55
CAPN2 P17655 1/20 0.55
MMP3 P08254 1/20 0.54
SIRT2 Q8IXJ6 1/20 0.54
SIRT1 Q96EB6 1/20 0.54

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
SCHEMBL9600765 0.88 CTSK (0.63) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL9641495 0.88 CTSK (0.63) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL8744665 0.88 CTSK (0.68) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL8744667 0.88 CTSK (0.68) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL7324017 0.87 CTSK (0.67) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL7324011 0.87 CTSK (0.67) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL8972543 0.87 CTSK (0.67) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL7305705 0.86 CTSK (0.61) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL7305719 0.86 CTSK (0.61) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL2251235 0.85 CTSK (0.64) CTSKCTSSCTSLCTSBCAPN1

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