SCHEMBL9256288

SCHEMBL9256288

CC(NC(=O)OC(C)(C)C)C(=O)n1c(=O)[nH]c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.43
POLB P06746 1/20 0.43
DAO P14920 1/20 0.39
B3GNT2 Q9NY97 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL9256291 1.00 EPHX2 (0.43) EPHX2POLBDAOB3GNT2ATM
SCHEMBL9248532 0.84 POLB (0.39) POLBDAOB3GNT2
SCHEMBL9248540 0.84 POLB (0.39) POLBDAOB3GNT2
SCHEMBL2256797 0.79 DAO (0.47) POLBDAO
SCHEMBL7551469 0.78 POLB (0.49) EPHX2POLBDAOB3GNT2ATM
SCHEMBL27349103 0.74 PPARA (0.48)
SCHEMBL4563141 0.74 DAO (0.41) EPHX2DAOB3GNT2
SCHEMBL5069613 0.74 DAO (0.41) EPHX2DAOB3GNT2
SCHEMBL27349061 0.74 MEN1 (0.44) EPHX2
SCHEMBL27349107 0.74 MEN1 (0.44) EPHX2

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
US-5457180-A Methods for producing linear thiopeptides using an amino acid ortho amino thioanilide compound BIOCHEM PHARMA INC. (CA) 1995-10-10 US disclosed