SCHEMBL7316871

SCHEMBL7316871

CC(=O)Br.CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.55
CTSK P43235 2/20 0.55
CTSL P07711 2/20 0.52
CTSB P07858 1/20 0.52
BACE1 P56817 10/20 0.48
REN P00797 2/20 0.47
CAPN1 P07384 1/20 0.47
FOLH1 Q04609 1/20 0.46
TSHR P16473 1/20 0.46
BACE2 Q9Y5Z0 1/20 0.45
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44

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
SCHEMBL7315478 0.95 CTSS (0.59) CTSSCTSKCTSLCTSBBACE1
SCHEMBL7320746 0.91 CTSS (0.53) CTSSCTSKCTSLCTSBBACE1
SCHEMBL7316868 0.91 CTSS (0.53) CTSSCTSKCTSLCTSBBACE1
SCHEMBL10727619 0.91 CTSS (0.62) CTSSCTSKCTSLCTSBBACE1
SCHEMBL17326876 0.88 CTSS (0.56) CTSSCTSKCTSLCTSBBACE1
SCHEMBL7324479 0.86 CTSS (0.47) CTSSCTSKCTSLCTSBBACE1
SCHEMBL10787765 0.85 CTSS (0.55) CTSSCTSKCTSLCTSBBACE1
SCHEMBL10787770 0.85 CTSS (0.55) CTSSCTSKCTSLCTSBBACE1
SCHEMBL11020537 0.85 CTSS (0.55) CTSSCTSKCTSLCTSBBACE1
SCHEMBL352156 0.84 CTSS (0.68) CTSSCTSKTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0272671-B1 Aryloxy and arylacyloxy methyl ketones as thiol protease inhibitors SANDOZ LTD (CH) 1994-03-16 EP disclosed
US-5158936-A Treating or prevention of tissue damage, inflammation, bone resporpption and muscular dystrophy SYNTEX (U.S.A.) INC. (US) 1992-10-27 US disclosed
US-5055451-A Prevent tissue damage SYNTEX INC. (US) 1991-10-08 US disclosed
EP-0272671-A2 Aryloxy and arylacyloxy methyl ketones as thiol protease inhibitors SANDOZ LTD. (CH) 1988-06-29 EP disclosed