SCHEMBL7324853

SCHEMBL7324853

CC(=O)Nc1ccccc1OCC(=O)COc1ccccc1NC(C)=O.C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.54
CTSL P07711 4/20 0.53
CTSB P07858 3/20 0.53
BRD4 O60885 1/20 0.51
MME P08473 1/20 0.49
ECE1 P42892 1/20 0.49
LMNA P02545 2/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CTSS P25774 1/20 0.49
CTSK P43235 1/20 0.49
TACR1 P25103 2/20 0.48
RAB9A P51151 1/20 0.47

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
SCHEMBL7318185 0.85 HDAC8 (0.60) CAPN1CTSLCTSBMMEECE1
SCHEMBL7320707 0.85 CAPN1 (0.55) CAPN1CTSLCTSBMMEECE1
SCHEMBL7322856 0.84 CAPN1 (0.55) CAPN1CTSLCTSBMMEECE1
SCHEMBL7324400 0.84 CAPN1 (0.54) CAPN1CTSLCTSBMMEECE1
SCHEMBL9088735 0.83 CAPN1 (0.72) CAPN1CTSLCTSBMMEECE1
SCHEMBL31397615 0.83 CAPN1 (0.72) CAPN1CTSLCTSBMMEECE1
SCHEMBL7281206 0.83 CAPN1 (0.72) CAPN1CTSLCTSBMMEECE1
SCHEMBL10967811 0.83 CAPN1 (0.72) CAPN1CTSLCTSBMMEECE1
SCHEMBL5484209 0.83 CAPN1 (0.72) 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