SCHEMBL8971882

SCHEMBL8971882

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

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.56
PSMB1 P20618 1/20 0.53
CTSL P07711 8/20 0.52
CTSS P25774 5/20 0.52
CTSB P07858 1/20 0.52
CAPN1 P07384 1/20 0.51
CAPN2 P17655 1/20 0.51
REN P00797 1/20 0.49

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
SCHEMBL8972444 0.84 CTSK (0.58) CTSKPSMB1CTSLCTSSCTSB
SCHEMBL8972241 0.83 CTSK (0.62) CTSKPSMB1CTSLCTSSCTSB
SCHEMBL8972325 0.82 CTSK (0.63) CTSKPSMB1CTSLCTSSCTSB
SCHEMBL7338528 0.81 CTSK (0.59) CTSKPSMB1CTSLCTSSCTSB
SCHEMBL7338539 0.81 CTSK (0.59) CTSKPSMB1CTSLCTSSCTSB
SCHEMBL8971566 0.81 CTSK (0.61) CTSKPSMB1CTSLCTSSCTSB
SCHEMBL8744665 0.80 CTSK (0.68) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL8744667 0.80 CTSK (0.68) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL7324017 0.79 CTSK (0.67) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL8972543 0.79 CTSK (0.67) CTSKCTSLCTSSCTSBCAPN1

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