SCHEMBL7328401

SCHEMBL7328401

Cc1cc(C)c(C(=O)OCC(=O)COC(=O)c2c(C)cc(C)cc2C)c(C)c1.O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CSCc1ccccc1)C(=O)O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.54
PPARG P37231 1/20 0.54
CTSL P07711 4/20 0.47
CTSB P07858 3/20 0.47
ACE P12821 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 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
SCHEMBL7321639 0.91 CTSL (0.52) CTSLCTSBCTSSCTSK
SCHEMBL7324547 0.88 ALDH1A1 (0.52) CTSLCTSBCTSSCTSK
SCHEMBL7323822 0.87 CTSL (0.48) CTSLCTSBCTSSCTSK
SCHEMBL7318489 0.86 CAPN1 (0.55) CTSLCTSBCTSSCTSK
SCHEMBL7327563 0.86 HDAC8 (0.53) CTSLCTSBCTSSCTSK
SCHEMBL7324267 0.85 CAPN1 (0.59) CTSLCTSBCTSSCTSK
SCHEMBL7320713 0.85 PPARA (0.72) PPARAPPARGCTSLCTSBACE
SCHEMBL7320994 0.84 PPARA (0.53) PPARAPPARGCTSLCTSBCTSS
SCHEMBL7321607 0.84 ECE1 (0.53) CTSLCTSBACECTSSCTSK
SCHEMBL7327528 0.83 CTSK (0.56) CTSLCTSBCTSSCTSK

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