SCHEMBL11501026

SCHEMBL11501026

O=C(O)C(COc1ccccc1)Oc1ccc2ccccc2n1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 6/20 0.53
▸ PPARA Q07869 6/20 0.53
▸ CYSLTR1 Q9Y271 5/20 0.46
▸ CYSLTR2 Q9NS75 4/20 0.46
▸ GPBAR1 Q8TDU6 2/20 0.44
▸ ALOX5 P09917 2/20 0.41
▸ FFAR1 O14842 1/20 0.41
▸ AKR1B1 P15121 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ MGAM O43451 1/20 0.40
▸ ADAMTS4 O75173 1/20 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
SCHEMBL8881794 0.84 MEN1 (0.54) PPARGPPARA
SCHEMBL10887999 0.80 PPARG (0.52) PPARGPPARACYSLTR1CYSLTR2GPBAR1
SCHEMBL1538038 0.77 PPARG (0.81) PPARGPPARA
SCHEMBL1967961 0.77 PPARG (0.58) PPARGPPARA
SCHEMBL8435218 0.75 PPARA (0.60) PPARGPPARA
SCHEMBL10844187 0.75 PPARG (0.63) PPARGPPARA
SCHEMBL10890754 0.74 PPARA (0.46) PPARGPPARA
SCHEMBL10886724 0.74 PPARA (0.58) PPARGPPARA
SCHEMBL1041399 0.74 ALDH1A1 (0.51) PPARGPPARAMGAMADAMTS4
SCHEMBL10771748 0.74 MEN1 (0.51) PPARGPPARA

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
US-4236912-A Quinolinyloxyphenoxy and quinolyinylthiophenoxy alkanoic acids and derivatives thereof and methods of herbicidal use THE DOW CHEMICAL COMPANY (US) 1980-12-02 — — US disclosed
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