SCHEMBL8972444

SCHEMBL8972444

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

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.58
REN P00797 5/20 0.57
PSMB1 P20618 1/20 0.57
CTSS P25774 4/20 0.53
CTSL P07711 4/20 0.53
CTSB P07858 1/20 0.53
CAPN1 P07384 1/20 0.52
CAPN2 P17655 1/20 0.52

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
SCHEMBL8972241 0.85 CTSK (0.62) CTSKPSMB1CTSSCTSLCTSB
SCHEMBL8972291 0.84 CTSK (0.61) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL8971882 0.84 CTSK (0.56) CTSKRENPSMB1CTSSCTSL
SCHEMBL8972325 0.84 CTSK (0.63) CTSKPSMB1CTSSCTSLCTSB
SCHEMBL10720867 0.82 REN (0.62) CTSKRENCTSB
SCHEMBL10720864 0.82 REN (0.62) CTSKRENCTSB
SCHEMBL7338528 0.82 CTSK (0.59) CTSKPSMB1CTSSCTSLCTSB
SCHEMBL7338539 0.82 CTSK (0.59) CTSKPSMB1CTSSCTSLCTSB
SCHEMBL8971566 0.82 CTSK (0.61) CTSKPSMB1CTSSCTSLCTSB
SCHEMBL8744667 0.81 CTSK (0.68) 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