SCHEMBL11345159

SCHEMBL11345159

O=C(O)C(CCCOc1ccccc1)Oc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 15/20 0.70
PPARA Q07869 14/20 0.70
PTGES O14684 1/20 0.57
ALOX5 P09917 1/20 0.57
TDP1 Q9NUW8 1/20 0.54
FOLH1 Q04609 1/20 0.52
PPARD Q03181 2/20 0.50
CTRC Q99895 1/20 0.50
KCNA3 P22001 1/20 0.50
PARP10 Q53GL7 1/20 0.49

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
SCHEMBL9634846 0.91 PPARG (0.64) PPARGPPARAPTGESALOX5FOLH1
SCHEMBL9613979 0.87 PPARG (0.63) PPARGPPARAPTGESALOX5TDP1
SCHEMBL9614177 0.85 PPARG (0.61) PPARGPPARAPTGESALOX5TDP1
SCHEMBL9613840 0.83 PPARG (0.59) PPARGPPARAPTGESALOX5TDP1
SCHEMBL8935884 0.83 PPARG (0.64) PPARGPPARAPTGESALOX5FOLH1
SCHEMBL5523874 0.83 PPARG (0.56) PPARGPPARAFOLH1
SCHEMBL289442 0.83 PPARG (0.64) PPARGPPARAPTGESALOX5FOLH1
SCHEMBL5054549 0.83 FOLH1 (0.73) PPARGPPARAFOLH1
SCHEMBL5523873 0.82 TDP1 (0.70) PPARGPPARAALOX5TDP1KCNA3
SCHEMBL9614256 0.81 PPARG (0.81) PPARGPPARAPTGESALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-53037630-A None JP disclosed
US-4263040-A Phenoxyphenoxy unsaturated derivatives and herbicidal composition KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1981-04-21 US disclosed
JP-S5337630-A PHENOXYPHENOXYVALERIC ACID DERIVATIVES AND HERIBICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA LTD 1978-04-06 JP disclosed