SCHEMBL7322013

SCHEMBL7322013

CCOC(=O)c1ccc(OCC(=O)COc2ccc(C(=O)OCC)cc2)cc1.C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.55
HDAC8 Q9BY41 2/20 0.52
CTSL P07711 3/20 0.51
PTPN1 P18031 1/20 0.51
CTSB P07858 2/20 0.50
CTSK P43235 2/20 0.49
TACR1 P25103 1/20 0.49
ITGB3 P05106 3/20 0.49
ITGA2B P08514 3/20 0.49
CTSS P25774 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
SCHEMBL7326112 0.87 CAPN1 (0.55) CAPN1HDAC8CTSLCTSBCTSK
SCHEMBL7325940 0.87 CAPN1 (0.60) CAPN1CTSLCTSBCTSKTACR1
SCHEMBL7318185 0.85 HDAC8 (0.60) CAPN1HDAC8CTSLCTSBCTSK
SCHEMBL7322863 0.84 CTSL (0.59) CAPN1HDAC8CTSLCTSBCTSK
SCHEMBL7324809 0.83 CTSL (0.55) CAPN1CTSLCTSBCTSKTACR1
SCHEMBL9088735 0.82 CAPN1 (0.72) CAPN1CTSLCTSBCTSKTACR1
SCHEMBL5484209 0.82 CAPN1 (0.72) CAPN1CTSLCTSBCTSKTACR1
SCHEMBL10967811 0.82 CAPN1 (0.72) CAPN1CTSLCTSBCTSKTACR1
SCHEMBL31397615 0.82 CAPN1 (0.72) CAPN1CTSLCTSBCTSKTACR1
SCHEMBL7281206 0.82 CAPN1 (0.72) CAPN1CTSLCTSBCTSKTACR1

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