SCHEMBL45092

SCHEMBL45092

CC(C)COC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.47
CASP1 P29466 3/20 0.46
ELANE P08246 1/20 0.46
CTSL P07711 8/20 0.45
CTSS P25774 5/20 0.45
CTSB P07858 4/20 0.45

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
SCHEMBL29401961 0.92 CASP1 (0.51) CTSKCASP1CTSLCTSB
SCHEMBL6182119 0.86 CTSK (0.61) CTSKCASP1CTSLCTSSCTSB
SCHEMBL1802007 0.86 CTSK (0.61) CTSKCASP1CTSLCTSSCTSB
SCHEMBL29877959 0.86 CTSK (0.61) CTSKCASP1CTSLCTSSCTSB
SCHEMBL22657972 0.86 CASP1 (0.60) CASP1
SCHEMBL22657970 0.86 CASP1 (0.60) CASP1
SCHEMBL17177676 0.86 KLK7 (0.51) CTSKCASP1CTSLCTSSCTSB
SCHEMBL2584726 0.86 KLK7 (0.51) CTSKCASP1CTSLCTSSCTSB
SCHEMBL27919626 0.85 CTSK (0.57) CTSKCASP1CTSLCTSSCTSB
SCHEMBL11232429 0.84 CASP1 (0.48) CTSKCASP1CTSLCTSSCTSB

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