SCHEMBL7318185

SCHEMBL7318185

CC(=O)Nc1ccc(OCC(=O)COc2ccc(NC(C)=O)cc2)cc1.C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.60
CAPN1 P07384 1/20 0.54
CTSL P07711 2/20 0.53
CTSB P07858 2/20 0.53
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
KMT2A Q03164 1/20 0.52
KDM1A O60341 4/20 0.49
MAOA P21397 2/20 0.49
RCOR1 Q9UKL0 2/20 0.49
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
KDM1B Q8NB78 1/20 0.49
MME P08473 1/20 0.49
ECE1 P42892 1/20 0.49
CTSS P25774 1/20 0.49
CTSK P43235 1/20 0.49
F2 P00734 1/20 0.49
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49

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
SCHEMBL7324853 0.85 CAPN1 (0.54) CAPN1CTSLCTSBLMNAKMT2A
SCHEMBL7322013 0.85 CAPN1 (0.55) HDAC8CAPN1CTSLCTSBITGB3
SCHEMBL7322863 0.85 CTSL (0.59) HDAC8CAPN1CTSLCTSBCTSS
SCHEMBL5484209 0.83 CAPN1 (0.72) CAPN1CTSLCTSBMMEECE1
SCHEMBL7281206 0.83 CAPN1 (0.72) CAPN1CTSLCTSBMMEECE1
SCHEMBL31397615 0.83 CAPN1 (0.72) CAPN1CTSLCTSBMMEECE1
SCHEMBL10967811 0.83 CAPN1 (0.72) CAPN1CTSLCTSBMMEECE1
SCHEMBL9088735 0.83 CAPN1 (0.72) CAPN1CTSLCTSBMMEECE1
SCHEMBL7317304 0.81 CAPN1 (0.57) CAPN1CTSLCTSBMMEECE1
SCHEMBL7316192 0.81 CAPN1 (0.57) CAPN1CTSLCTSBMMEECE1

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