SCHEMBL7318941

SCHEMBL7318941

CC(=O)Br.O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CSCc1ccccc1)C(=O)O)OCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.66
PPARG P37231 2/20 0.66
CTSL P07711 5/20 0.56
CTSB P07858 4/20 0.56
CTSS P25774 1/20 0.55
CTSK P43235 1/20 0.55
TACR1 P25103 2/20 0.54
ACE P12821 1/20 0.54

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
SCHEMBL7320713 0.95 PPARA (0.72) PPARAPPARGCTSLCTSBCTSS
SCHEMBL7318936 0.91 PPARA (0.64) PPARAPPARGCTSLCTSBCTSS
SCHEMBL7326041 0.89 CTSL (0.65) CTSLCTSBCTSSCTSKTACR1
Benzylcysteine SCHEMBL7327683 0.87 PPARA (0.59) PPARAPPARGCTSLCTSBCTSS
SCHEMBL1285732 0.87 PPARA (0.84) PPARAPPARGCTSKTACR1ACE
SCHEMBL27533323 0.87 PPARA (0.84) PPARAPPARGCTSKTACR1ACE
SCHEMBL7318257 0.84 ALDH1A1 (0.65) CTSLCTSBCTSSCTSKTACR1
SCHEMBL7326801 0.84 CTSL (0.58) PPARACTSLCTSBCTSSCTSK
SCHEMBL11240331 0.84 PPARA (0.63) PPARAPPARGACE
SCHEMBL12052836 0.83 TACR1 (0.70) CTSLCTSBCTSSCTSKTACR1

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