SCHEMBL7444685

SCHEMBL7444685

CC(C)c1ccccc1SC1=C(O)CC(CCCCS(=O)(=O)O)(c2ccccc2)OC1=O

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LDHA P00338 20/20 0.50
LDHB P07195 11/20 0.41

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
SCHEMBL7434364 0.92 LDHA (0.49) LDHALDHB
SCHEMBL7433280 0.88 LDHA (0.55) LDHALDHB
SCHEMBL7443949 0.87 LDHA (0.45) LDHALDHB
SCHEMBL6603995 0.87 LDHA (0.52) LDHALDHB
SCHEMBL6606893 0.85 LDHA (0.56) LDHALDHB
SCHEMBL7439327 0.84 LDHA (0.51) LDHALDHB
SCHEMBL7444205 0.84 LDHA (0.47) LDHALDHB
SCHEMBL7444652 0.84 LDHA (0.48) LDHALDHB
SCHEMBL6604694 0.84 LDHA (0.54) LDHALDHB
SCHEMBL7450775 0.83 LDHA (0.48) LDHALDHB

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-1995014011-A2 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed