SCHEMBL9704932

SCHEMBL9704932

O=C(O)CCCCn1ccc(=O)c(O)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.51
DOHH Q9BU89 1/20 0.51
KDM4E B2RXH2 1/20 0.51
TBXAS1 P24557 3/20 0.44
FABP4 P15090 2/20 0.44
FABP5 Q01469 2/20 0.44
PTGS1 P23219 4/20 0.44
PTGS2 P35354 4/20 0.44
MAOB P27338 1/20 0.42
COMT P21964 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
F13A1 P00488 3/20 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
SCHEMBL5517575 0.95 KDM4E (0.53) TYRDOHHKDM4ETBXAS1FABP4
SCHEMBL6348803 0.88 TYR (0.55) TYRDOHHKDM4EFABP4FABP5
SCHEMBL30983057 0.79 NPC1 (0.49) TYRDOHHKDM4EPTGS1PTGS2
SCHEMBL30982965 0.79 NPC1 (0.49) TYRDOHHKDM4EPTGS1PTGS2
SCHEMBL30982680 0.79 NPC1 (0.49) TYRDOHHKDM4EPTGS1PTGS2
SCHEMBL9453872 0.78 TYR (0.50) TYRDOHHKDM4EMAOBCOMT
SCHEMBL9700040 0.78 TYR (0.58) TYRDOHHKDM4EMAOBCOMT
SCHEMBL17267401 0.77 TBXAS1 (0.46) KDM4ETBXAS1FABP4FABP5PTGS1
SCHEMBL17128963 0.74 DOHH (0.50) TYRDOHHKDM4EMAOBCOMT
SCHEMBL7640934 0.70 TYR (0.53) TYRDOHHKDM4EMAOBCOMT

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-1992012131-A1 3-HYDROXYPYRIDIN-4-ONE DERIVATIVES AS PHARMACEUTICAL COMPOSITIONS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1992-07-23 WO disclosed