Aloxistatin

Aloxistatin

SCHEMBL9314220

C1CCOC1.CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C

nearest known ligand 0.86

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 16/20 0.86
▸ CTSL P07711 3/20 0.86
▸ CTSB P07858 3/20 0.86
▸ LMNA P02545 1/20 0.86
▸ CTSG P08311 1/20 0.86
▸ CAPN9 O14815 3/20 0.64
▸ MAPK1 P28482 1/20 0.62
▸ CTSH P09668 1/20 0.44
▸ CTSS P25774 1/20 0.44
▸ CTSK P43235 1/20 0.44
▸ CTSC P53634 1/20 0.44

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
Aloxistatin SCHEMBL18498407 0.93 CAPN1 (1.00) CAPN1CTSLCTSBLMNACTSG
Aloxistatin SCHEMBL21981210 0.93 CAPN1 (1.00) CAPN1CTSLCTSBLMNACTSG
Aloxistatin SCHEMBL12620387 0.93 CAPN1 (1.00) CAPN1CTSLCTSBLMNACTSG
Aloxistatin SCHEMBL254426 0.93 CAPN1 (1.00) CAPN1CTSLCTSBLMNACTSG
Aloxistatin SCHEMBL483320 0.93 CAPN1 (1.00) CAPN1CTSLCTSBLMNACTSG
Aloxistatin SCHEMBL21981208 0.93 CAPN1 (1.00) CAPN1CTSLCTSBLMNACTSG
SCHEMBL22273610 0.86 CAPN1 (0.87) CAPN1CTSLCTSBLMNACTSG
SCHEMBL12653616 0.84 CAPN1 (0.83) CAPN1CTSLCTSBLMNACTSG
SCHEMBL12653864 0.84 CAPN1 (0.83) CAPN1CTSLCTSBLMNACTSG
SCHEMBL1804811 0.84 CAPN1 (0.83) CAPN1CTSLCTSBLMNACTSG

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5298157-A Mixing with acid and base; haet of reaction of hard acid with dimethylsulfide and base with boron trifluoride; extraction EXXON RESEARCH AND ENGINEERING COMPANY (US) 1994-03-29 — — US disclosed
US-5296133-A Extracting depolymerized coal with polar solvent to remove hard acid, soft base, minerals, mixing with swelling solvent so coal floats, minerals sink, separating EXXON RESEARCH AND ENGINEERING COMPANY (US) 1994-03-22 — — US disclosed
US-5294349-A Depolymerizing with a hard acid and soft base; catalytic hydrogenation using a precursor of a dihydrocarbyl metal dithiocarbamate EXXON RESEARCH AND ENGINNERING COMPANY (US) 1994-03-15 — — US disclosed
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