SCHEMBL8014485

SCHEMBL8014485

CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.72
▸ CTSK P43235 9/20 0.70
▸ CTSL P07711 6/20 0.70
▸ MMP1 P03956 1/20 0.68
▸ MMP2 P08253 1/20 0.68
▸ MMP3 P08254 1/20 0.68
▸ HTRA1 Q92743 1/20 0.66
▸ CTSB P07858 3/20 0.65
▸ CTSS P25774 2/20 0.65

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
SCHEMBL13888706 0.93 CTSK (0.79) CTSKCTSLCTSBCTSS
SCHEMBL1175268 0.93 CTSK (0.79) CTSKCTSLCTSBCTSS
SCHEMBL6945614 0.93 CTSK (0.79) CTSKCTSLCTSBCTSS
SCHEMBL10975356 0.92 CAPN1 (0.73) CAPN1CTSKCTSLMMP1MMP2
SCHEMBL7327426 0.91 CAPN1 (0.78) CAPN1CTSKCTSLHTRA1CTSB
SCHEMBL21219280 0.91 CAPN1 (0.74) CAPN1CTSKCTSLHTRA1CTSB
SCHEMBL9831181 0.91 CAPN1 (0.74) CAPN1CTSKCTSLHTRA1CTSB
SCHEMBL21219352 0.91 CAPN1 (0.74) CAPN1CTSKCTSLHTRA1CTSB
SCHEMBL29483597 0.91 CAPN1 (0.74) CAPN1CTSKCTSLHTRA1CTSB
SCHEMBL21219351 0.91 CAPN1 (0.74) CAPN1CTSKCTSLHTRA1CTSB

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-0728144-B1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEINASES DARWIN DISCOVERY LTD (GB) 2000-01-19 — — EP disclosed
US-5853623-A Peptidyl compounds and their therapeutic use as inhibitors of metalloproteinases CHIROSCIENCE LIMITED (GB) 1998-12-29 — — US disclosed
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