SCHEMBL28038795

SCHEMBL28038795

CCCc1ccc(C(CC2CCCC2)c2ccc(C[SH](=O)=O)cc2)[nH]c1=O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GCK P35557 8/20 0.33
EPHX2 P34913 1/20 0.31
HSD17B1 P14061 1/20 0.30
HSD17B2 P37059 1/20 0.30

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
SCHEMBL28038770 0.93 GCK (0.35) GCKHSD17B1HSD17B2
SCHEMBL28039071 0.85 HSD17B1 (0.36) GCKHSD17B1HSD17B2
SCHEMBL28038777 0.84 HSD17B1 (0.37) GCKHSD17B1HSD17B2
SCHEMBL28039053 0.84 GCK (0.35) GCKHSD17B1HSD17B2
SCHEMBL2416746 0.83 GCK (0.34) GCKEPHX2HSD17B1HSD17B2
SCHEMBL2414048 0.82 GCK (0.38) GCKEPHX2
SCHEMBL28039160 0.77
SCHEMBL2418092 0.75 GCK (0.36) GCKHSD17B1HSD17B2
SCHEMBL2415120 0.74 GCK (0.40) GCK
SCHEMBL28038732 0.73

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-102884047-B 2-pyridone compounds NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-11-25 CN disclosed