SCHEMBL45786

SCHEMBL45786

CC(C)COC(=O)[C@@H](CC(=O)O)NC(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 14/20 0.59
▸ CTSK P43235 5/20 0.58
▸ CTSS P25774 2/20 0.55
▸ CTSL P07711 1/20 0.55
▸ CTSB P07858 1/20 0.55

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
Water SCHEMBL20819144 0.99 CASP1 (0.58) CASP1CTSKCTSSCTSLCTSB
SCHEMBL27919626 0.91 CTSK (0.57) CASP1CTSKCTSSCTSLCTSB
SCHEMBL4280669 0.89 CASP1 (0.67) CASP1
SCHEMBL4280674 0.89 CASP1 (0.67) CASP1
SCHEMBL17114105 0.87 CTSK (0.56) CASP1CTSKCTSSCTSLCTSB
SCHEMBL45470 0.87 CTSK (0.56) CASP1CTSKCTSSCTSLCTSB
SCHEMBL20819127 0.87 CTSK (0.56) CASP1CTSKCTSSCTSLCTSB
SCHEMBL18075229 0.87 CTSK (0.65) CTSKCTSSCTSLCTSB
SCHEMBL29604402 0.87 CTSK (0.58) CTSKCTSSCTSLCTSB
SCHEMBL18075231 0.87 CTSK (0.65) CTSKCTSSCTSLCTSB

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-3122743-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES Azevan Pharmaceuticals, Inc. (US) 2017-02-01 — — EP disclosed
WO-2015148962-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AZEVAN PHARMACEUTICALS, INC. (US) 2015-10-01 — — WO disclosed
EP-2587919-A1 METHODS FOR TREATING POST TRAUMATIC STRESS DISORDER Azevan Pharmaceuticals, Inc. (US) 2013-05-08 — — EP disclosed
WO-2012003436-A1 METHODS FOR TREATING POST TRAUMATIC STRESS DISORDER AZEVAN PHARMACEUTICALS, INC. (US) 2012-01-05 — — WO disclosed
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