SCHEMBL7342109

SCHEMBL7342109

CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(=O)O.O=C(COc1c(F)c(F)c(F)c(F)c1F)COc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.46
CTSK P43235 2/20 0.46
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
REN P00797 3/20 0.43
BACE1 P56817 10/20 0.42
BACE2 Q9Y5Z0 1/20 0.41
CAPN1 P07384 1/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL7324479 0.89 CTSS (0.47) CTSSCTSKCTSLCTSBREN
SCHEMBL7315478 0.86 CTSS (0.59) CTSSCTSKCTSLCTSBREN
SCHEMBL7320746 0.82 CTSS (0.53) CTSSCTSKCTSLCTSBREN
SCHEMBL7316868 0.82 CTSS (0.53) CTSSCTSKCTSLCTSBREN
SCHEMBL7316871 0.82 CTSS (0.55) CTSSCTSKCTSLCTSBREN
SCHEMBL10727619 0.82 CTSS (0.62) CTSSCTSKCTSLCTSBREN
SCHEMBL7321496 0.78 CTSS (0.43) CTSSCTSKCTSLCTSBREN
SCHEMBL17326876 0.78 CTSS (0.56) CTSSCTSKCTSLCTSBREN
SCHEMBL7342116 0.77 BACE1 (0.44) CTSSCTSKCTSLCTSBREN
SCHEMBL11020537 0.77 CTSS (0.55) CTSSCTSKCTSLCTSBREN

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 3 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