SCHEMBL7318936

SCHEMBL7318936

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

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.64
PPARG P37231 2/20 0.64
CTSL P07711 4/20 0.53
CTSB P07858 3/20 0.53
TACR1 P25103 2/20 0.53
CTSS P25774 1/20 0.52
CTSK P43235 1/20 0.52
MME P08473 1/20 0.50
ECE1 P42892 1/20 0.50

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 0.94 PPARA (0.72) PPARAPPARGCTSLCTSBTACR1
SCHEMBL7318941 0.91 PPARA (0.66) PPARAPPARGCTSLCTSBTACR1
SCHEMBL7326035 0.89 TACR1 (0.61) CTSLCTSBTACR1CTSSCTSK
SCHEMBL1285732 0.86 PPARA (0.84) PPARAPPARGTACR1CTSK
SCHEMBL27533323 0.86 PPARA (0.84) PPARAPPARGTACR1CTSK
SCHEMBL5689557 0.85 ACE (0.58) CTSLCTSBTACR1CTSSCTSK
SCHEMBL13739666 0.85 ACE (0.58) CTSLCTSBTACR1CTSSCTSK
SCHEMBL3037401 0.85 ACE (0.58) CTSLCTSBTACR1CTSSCTSK
SCHEMBL13324040 0.85 TACR1 (0.62) CTSLCTSBTACR1CTSSCTSK
SCHEMBL7318249 0.84 ITGB3 (0.60) CTSLCTSBTACR1CTSSCTSK

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