SCHEMBL7322863

SCHEMBL7322863

C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O.O=C(COc1ccc([N+](=O)[O-])cc1)COc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 12/20 0.59
CTSB P07858 8/20 0.59
CAPN1 P07384 1/20 0.53
HDAC8 Q9BY41 2/20 0.52
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
P2RX7 Q99572 1/20 0.48

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
SCHEMBL7325251 0.90 ITGB3 (0.58) CTSLCTSBHDAC8P2RX7
SCHEMBL7326939 0.89 CTSL (0.56) CTSLCTSBCAPN1CTSSCTSK
SCHEMBL7325257 0.87 CTSL (0.55) CTSLCTSBCAPN1CTSSCTSK
SCHEMBL7351619 0.85 CTSL (0.58) CTSLCTSBCTSSCTSK
SCHEMBL7318185 0.85 HDAC8 (0.60) CTSLCTSBCAPN1HDAC8CTSS
SCHEMBL7322013 0.84 CAPN1 (0.55) CTSLCTSBCAPN1HDAC8CTSS
SCHEMBL9088735 0.82 CAPN1 (0.72) CTSLCTSBCAPN1CTSSCTSK
SCHEMBL31397615 0.82 CAPN1 (0.72) CTSLCTSBCAPN1CTSSCTSK
SCHEMBL10967811 0.82 CAPN1 (0.72) CTSLCTSBCAPN1CTSSCTSK
SCHEMBL7281206 0.82 CAPN1 (0.72) CTSLCTSBCAPN1CTSSCTSK

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