SCHEMBL7330463

SCHEMBL7330463

CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 7/20 0.67
CAPN1 P07384 1/20 0.67
CAPN2 P17655 1/20 0.67
CTSK P43235 7/20 0.66
CTSS P25774 2/20 0.66
CTSB P07858 2/20 0.66
CA5A P35218 1/20 0.61
MMP3 P08254 1/20 0.59

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
SCHEMBL7796791 0.87 CTSL (0.67) CTSLCAPN1CTSKCTSSCTSB
SCHEMBL7307837 0.87 CTSK (0.70) CTSLCAPN1CAPN2CTSKCTSS
SCHEMBL8823918 0.85 CTSK (0.77) CTSLCAPN1CTSKCTSSCTSB
SCHEMBL14148467 0.85 CTSK (0.77) CTSLCAPN1CTSKCTSSCTSB
SCHEMBL20770085 0.85 CTSK (0.77) CTSLCAPN1CTSKCTSSCTSB
SCHEMBL25406813 0.85 CTSK (0.77) CTSLCAPN1CTSKCTSSCTSB
SCHEMBL2930262 0.85 CTSK (0.77) CTSLCAPN1CTSKCTSSCTSB
SCHEMBL4872585 0.85 CTSK (0.77) CTSLCAPN1CTSKCTSSCTSB
SCHEMBL5598102 0.84 CTSK (0.78) CTSLCAPN1CAPN2CTSKCTSS
SCHEMBL5598105 0.84 CTSK (0.78) CTSLCAPN1CAPN2CTSKCTSS

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-0575844-B1 Hydroxamic acid derivatives and pharmaceutical compositions thereof HOFFMANN LA ROCHE (CH) 1998-01-21 EP disclosed
EP-0575844-A2 Hydroxamic acid derivatives and pharmaceutical compositions thereof F. HOFFMANN-LA ROCHE AG (CH) 1993-12-29 EP disclosed