SCHEMBL25901378

SCHEMBL25901378

CCOC(=O)C1OC1C(=O)NC(COC)C(=O)NCCC(C)C

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 13/20 0.81
CTSL P07711 3/20 0.81
CTSB P07858 3/20 0.81
LMNA P02545 1/20 0.81
CTSG P08311 1/20 0.81
CAPN9 O14815 2/20 0.57
MAPK1 P28482 1/20 0.57

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
SCHEMBL31406924 1.00 CAPN1 (0.81) CAPN1CTSLCTSBLMNACTSG
Aloxistatin SCHEMBL483320 0.89 CAPN1 (1.00) CAPN1CTSLCTSBLMNACTSG
Aloxistatin SCHEMBL21981210 0.89 CAPN1 (1.00) CAPN1CTSLCTSBLMNACTSG
Aloxistatin SCHEMBL21981208 0.89 CAPN1 (1.00) CAPN1CTSLCTSBLMNACTSG
Aloxistatin SCHEMBL12620387 0.89 CAPN1 (1.00) CAPN1CTSLCTSBLMNACTSG
Aloxistatin SCHEMBL18498407 0.89 CAPN1 (1.00) CAPN1CTSLCTSBLMNACTSG
SCHEMBL16982461 0.89 CAPN1 (0.83) CAPN1CTSLCTSBLMNACTSG
Aloxistatin SCHEMBL254426 0.89 CAPN1 (1.00) CAPN1CTSLCTSBLMNACTSG
SCHEMBL22273610 0.87 CAPN1 (0.87) CAPN1CTSLCTSBLMNACTSG
SCHEMBL21983131 0.85 CAPN1 (0.76) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023135480-A1 COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF DISEASES ASSOCIATED WITH IMPAIRED β-GALACTOSIDASE ACTIVITY DORPHAN SA (CH) 2023-07-20 WO disclosed