SCHEMBL29230956

SCHEMBL29230956

Cc1cc(C(NC(=O)C2CC(F)CN2C(=O)O)c2ccccc2)ncc1C(C)C

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 17/20 0.38
▸ ITGA4 P13612 1/20 0.36
▸ XIAP P98170 1/20 0.35
▸ PSMB9 P28065 1/20 0.33

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
SCHEMBL29230963 1.00 CFD (0.38) CFDITGA4XIAPPSMB9
SCHEMBL29230959 1.00 CFD (0.38) CFDITGA4XIAPPSMB9
SCHEMBL24665877 0.89 HTRA1 (0.43) CFDITGA4
SCHEMBL29231256 0.89 HTRA1 (0.43) CFDITGA4
SCHEMBL29231252 0.89 HTRA1 (0.43) CFDITGA4
SCHEMBL29231253 0.89 HTRA1 (0.43) CFDITGA4
SCHEMBL29230926 0.86 CFD (0.39) CFDXIAPPSMB9
SCHEMBL29230932 0.86 CFD (0.39) CFDXIAPPSMB9
SCHEMBL29230936 0.86 CFD (0.39) CFDXIAPPSMB9
SCHEMBL24666680 0.85 CFD (0.37) CFDITGA4PSMB9

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
CN-117956985-A Inhibitors of glycogen synthase 1 (GYS 1) and methods of use thereof 梅兹治疗公司 2024-04-30 — — CN disclosed
Send feedback