SCHEMBL7320085

SCHEMBL7320085

C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)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 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 2/20 0.51
CTSL P07711 5/20 0.50
CTSS P25774 2/20 0.50
CTSK P43235 2/20 0.50
GPR139 Q6DWJ6 1/20 0.49
GPR132 Q9UNW8 1/20 0.47
CTSB P07858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
BACE1 P56817 1/20 0.45
LTA4H P09960 2/20 0.45
MME P08473 1/20 0.45

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
SCHEMBL7316192 0.87 CAPN1 (0.57) CTSLCTSSCTSKCTSBMME
SCHEMBL10119250 0.85 PSMB5 (0.65) PSMB5CTSLCTSSCTSKGPR139
SCHEMBL7318555 0.85 PSMB5 (0.65) PSMB5CTSLCTSSCTSKGPR139
Hydrochloric Acid SCHEMBL7348808 0.83 LTA4H (0.46) LTA4HMME
SCHEMBL10118961 0.82 USP30 (0.56) PSMB5CTSLCTSSCTSKCTSB
SCHEMBL7327671 0.81 PSMB5 (0.58) PSMB5CTSLCTSSCTSKCTSB
SCHEMBL7315385 0.81 PSMB5 (0.58) PSMB5CTSLCTSSCTSKCTSB
SCHEMBL7315389 0.81 PSMB5 (0.60) PSMB5CTSLCTSSCTSKGPR139
SCHEMBL7322353 0.81 CAPN1 (0.55) CTSLCTSSCTSKCTSBMME
SCHEMBL10118946 0.80 CTSS (0.67) PSMB5CTSLCTSSCTSKCTSB

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