SCHEMBL8744667

SCHEMBL8744667

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

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.68
CAPN1 P07384 3/20 0.63
CAPN2 P17655 1/20 0.63
CTSL P07711 6/20 0.63
CTSS P25774 3/20 0.63
CTSB P07858 3/20 0.62
MME P08473 1/20 0.60
ECE1 P42892 1/20 0.60

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
SCHEMBL8744665 1.00 CTSK (0.68) CTSKCAPN1CAPN2CTSLCTSS
Carbon Dioxide SCHEMBL2251297 0.97 CTSK (0.64) CTSKCAPN1CAPN2CTSLCTSS
SCHEMBL2251235 0.97 CTSK (0.64) CTSKCAPN1CAPN2CTSLCTSS
SCHEMBL2251230 0.97 CTSK (0.64) CTSKCAPN1CAPN2CTSLCTSS
SCHEMBL5598102 0.93 CTSK (0.78) CTSKCAPN1CAPN2CTSLCTSS
SCHEMBL5598105 0.93 CTSK (0.78) CTSKCAPN1CAPN2CTSLCTSS
SCHEMBL8972543 0.92 CTSK (0.67) CTSKCAPN1CAPN2CTSLCTSS
SCHEMBL7324017 0.92 CTSK (0.67) CTSKCAPN1CAPN2CTSLCTSS
SCHEMBL7324011 0.92 CTSK (0.67) CTSKCAPN1CAPN2CTSLCTSS
SCHEMBL2251162 0.91 CTSK (0.58) CTSKCAPN1CAPN2CTSLCTSB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0578978-B1 Dipeptide derivative and prophylactic or therapeutic agent for bone diseases containing same as active ingredient SUNTORY LTD (JP) 1997-01-15 EP disclosed
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-5399743-A Osteoporosis, hypercalcemia SUNTORY LIMITED (JP) 1995-03-21 US 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
EP-0578978-A1 Dipeptide derivative and prophylactic or therapeutic agent for bone diseases containing same as active ingredient SUNTORY LIMITED (JP) 1994-01-19 EP disclosed