SCHEMBL7320994

SCHEMBL7320994

O=C(COC(=O)c1c(C(F)(F)F)cccc1C(F)(F)F)COC(=O)c1c(C(F)(F)F)cccc1C(F)(F)F.O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CSCc1ccccc1)C(=O)O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.53
PPARG P37231 2/20 0.53
CTSL P07711 5/20 0.45
CTSB P07858 4/20 0.45
TACR1 P25103 2/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43

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
SCHEMBL7319696 0.87 TACR1 (0.46) PPARACTSLCTSBTACR1CTSS
SCHEMBL7314988 0.85 CAPN1 (0.53) CTSLCTSBTACR1CTSSCTSK
SCHEMBL7323388 0.85 CAPN1 (0.57) CTSLCTSBCTSSCTSK
SCHEMBL7328401 0.84 PPARA (0.54) PPARAPPARGCTSLCTSBCTSS
SCHEMBL7320713 0.84 PPARA (0.72) PPARAPPARGCTSLCTSBTACR1
SCHEMBL7320502 0.83 CTSL (0.52) CTSLCTSBTACR1CTSSCTSK
SCHEMBL7318494 0.82 CTSK (0.54) CTSLCTSBCTSSCTSK
SCHEMBL7314076 0.82 CTSL (0.45) CTSLCTSBTACR1CTSSCTSK
SCHEMBL7314067 0.82 CTSL (0.45) CTSLCTSBTACR1CTSSCTSK
SCHEMBL7318936 0.81 PPARA (0.64) PPARAPPARGCTSLCTSBTACR1

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