SCHEMBL7316196

SCHEMBL7316196

C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O.O=C(C(F)(F)Oc1ccc(F)c(F)c1F)C(F)(F)Oc1ccc(F)c(F)c1F

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.52
MME P08473 1/20 0.48
ECE1 P42892 1/20 0.48
CTSL P07711 6/20 0.48
CTSB P07858 4/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
TACR1 P25103 2/20 0.46

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
SCHEMBL7317359 0.89 CTSL (0.44) CAPN1MMEECE1CTSLCTSB
SCHEMBL7320814 0.89 CAPN1 (0.56) CAPN1MMEECE1CTSLCTSB
SCHEMBL7325956 0.88 MMP12 (0.47) CTSLCTSBCTSSCTSKTACR1
SCHEMBL7320091 0.88 KLKB1 (0.46) CTSLCTSSCTSK
SCHEMBL7326540 0.88 F2 (0.49) CTSLCTSSCTSK
SCHEMBL7318952 0.87 CAPN1 (0.51) CAPN1MMEECE1CTSLCTSB
SCHEMBL7326248 0.87 CTSL (0.51) MMEECE1CTSLCTSBCTSS
SCHEMBL7322784 0.86 CTSK (0.53) CAPN1MMEECE1CTSLCTSB
SCHEMBL7323260 0.86 ECE1 (0.53) ECE1CTSLCTSB
Hydrochloric Acid SCHEMBL7348813 0.83 LTA4H (0.42) MMEECE1

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 7 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 claimed
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 claimed
EP-0272671-A2 Aryloxy and arylacyloxy methyl ketones as thiol protease inhibitors SANDOZ LTD. (CH) 1988-06-29 EP claimed
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