SCHEMBL8900563

SCHEMBL8900563

CON=C(C)c1ccc(OCc2ccccc2C(O)C(=O)OC)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.44
PPARG P37231 2/20 0.39
PPARD Q03181 2/20 0.39
PPARA Q07869 2/20 0.39
TAS1R3 Q7RTX0 4/20 0.38
TAS1R1 Q7RTX1 4/20 0.38
FFAR4 Q5NUL3 4/20 0.37
FFAR1 O14842 2/20 0.36
HDAC8 Q9BY41 1/20 0.36
CD274 Q9NZQ7 4/20 0.36
MAOB P27338 1/20 0.36
ANO1 Q5XXA6 1/20 0.35

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
SCHEMBL8900558 1.00 HIF1A (0.44) HIF1APPARGPPARDPPARATAS1R3
SCHEMBL9667104 0.82 MRGPRX4 (0.45) FFAR4FFAR1CD274ANO1
SCHEMBL9667108 0.82 MRGPRX4 (0.45) FFAR4FFAR1CD274ANO1
SCHEMBL15401546 0.80 MAPT (0.41) FFAR4FFAR1HDAC8CD274ANO1
SCHEMBL15375470 0.80 RXRA (0.45)
SCHEMBL8948887 0.77 HIF1A (0.50) HIF1APPARGPPARDPPARAFFAR4
SCHEMBL8949001 0.76 HIF1A (0.49) HIF1APPARGPPARDPPARAFFAR4
SCHEMBL3497245 0.76 SMN1; SMN2 (0.48)
SCHEMBL8949116 0.76 HIF1A (0.48) HIF1APPARGPPARDPPARAFFAR4
SCHEMBL15402163 0.74 MAOB (0.41) CD274MAOB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9227487-A None JP disclosed
JP-H09227487-A BENZYLOXYBENZENE DERIVATIVE BEARING OXIME ETHER AND MICROBICIDE FOR AGRICULTURE AND HORTICULTURE CONTAINING THE SAME AS EFFECTIVE COMPONENT AGRO KANESHO CO LTD 1997-09-02 JP disclosed