SCHEMBL10849403

SCHEMBL10849403

O=C(O)C(CCCOCc1ccccc1)Oc1ccc(O)cc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 19/20 0.56
PPARA Q07869 16/20 0.56
CTRC Q99895 1/20 0.51
PTGES O14684 1/20 0.48
ALOX5 P09917 1/20 0.48

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
SCHEMBL11019274 0.96 PPARG (0.55) PPARGPPARACTRCPTGESALOX5
SCHEMBL9614318 0.90 PPARG (0.59) PPARGPPARACTRCPTGESALOX5
SCHEMBL11087584 0.87 PPARG (0.55) PPARGPPARACTRCPTGESALOX5
SCHEMBL11193572 0.85 PPARG (0.50) PPARGPPARACTRCPTGESALOX5
SCHEMBL10851554 0.84 PPARG (0.53) PPARGPPARACTRC
SCHEMBL10712461 0.83 PPARG (0.48) PPARGPPARACTRCPTGESALOX5
SCHEMBL10639771 0.82 PPARG (0.49) PPARGPPARACTRC
SCHEMBL11188968 0.80 PPARG (0.52) PPARGPPARACTRC
SCHEMBL9732929 0.80 HTT (0.43) PPARGPPARAPTGESALOX5
SCHEMBL11195634 0.80 PPARG (0.60) PPARGPPARACTRC

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
US-4584396-A Substituted phenoxypropionates and herbicidal compositions NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-04-22 US disclosed
US-4441913-A PRE- AND POST-EMERGENCE NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1984-04-10 US disclosed