SCHEMBL25901411

SCHEMBL25901411

CCOC(=O)[C@H]1OC1C(=O)NC(CC(F)(F)F)C(=O)N(C)CCC(C)C

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 13/20 0.53
▸ CTSL P07711 3/20 0.53
▸ CTSB P07858 3/20 0.53
▸ LMNA P02545 1/20 0.53
▸ CTSG P08311 1/20 0.53
▸ CAPN9 O14815 2/20 0.37
▸ MAPK1 P28482 1/20 0.37

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
SCHEMBL31406919 1.00 CAPN1 (0.53) CAPN1CTSLCTSBLMNACTSG
SCHEMBL30503349 0.87 CAPN1 (0.65) CAPN1CTSLCTSBLMNACTSG
SCHEMBL25901218 0.81 CAPN1 (0.76) CAPN1CTSLCTSBLMNACTSG
SCHEMBL30503328 0.81 CAPN1 (0.76) CAPN1CTSLCTSBLMNACTSG
SCHEMBL25314133 0.74 CAPN1 (0.62) CAPN1CTSLCTSBLMNACTSG
SCHEMBL25314124 0.74 CAPN1 (0.62) CAPN1CTSLCTSBLMNACTSG
SCHEMBL31406918 0.70 CAPN1 (0.76) CAPN1CTSLCTSBLMNACTSG
SCHEMBL25901380 0.70 CAPN1 (0.76) CAPN1CTSLCTSBLMNACTSG
SCHEMBL10863647 0.70 CAPN1 (0.70) CAPN1CTSLCTSBLMNACTSG
SCHEMBL21396087 0.70 CAPN1 (0.70) 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
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