SCHEMBL9858667

SCHEMBL9858667

CC(OCc1cccc(Oc2ccccc2)c1)C(C)(C)c1cccc(OC(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
CETP P11597 6/20 0.40
FFAR1 O14842 6/20 0.39
PTGES O14684 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
ALKBH1 Q13686 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
MMP1 P03956 1/20 0.36

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
SCHEMBL9559018 0.74 PPARG (0.42) PPARGPPARACETPFFAR1MRGPRX4
SCHEMBL9339511 0.74 FFAR1 (0.46) CETPFFAR1PTGESFFAR4MMP1
SCHEMBL20288436 0.74 MRGPRX4 (0.47) CETPMRGPRX4ALKBH1
SCHEMBL9848769 0.74 FFAR1 (0.39) CETPFFAR1PTGESFFAR4
SCHEMBL9848795 0.73 KDM4E (0.42) CETPFFAR1PTGESFFAR4MMP1
SCHEMBL9848766 0.72 FFAR1 (0.47) PPARGPPARACETPFFAR1PTGES
SCHEMBL10753726 0.72 PPARG (0.40) PPARGPPARACETPFFAR1MRGPRX4
SCHEMBL9340177 0.71 PKM (0.45) PPARGPPARACETPFFAR1FFAR4
SCHEMBL9403958 0.71 KDM4E (0.36) CETPFFAR1FFAR4
SCHEMBL9558469 0.71 PPARG (0.39) PPARGPPARACETPFFAR1MRGPRX4

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-3041001-A None JP disclosed
JP-H0341001-A SOLID ACARICIDE INSECTICIDE MITSUI TOATSU CHEM INC 1991-02-21 JP disclosed