SCHEMBL18794618

SCHEMBL18794618

C=CC/C=C\C/C=C\CCCCCCCc1cccc(OCCC)c1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 6/20 0.59
▸ PPARG P37231 3/20 0.50
▸ PTGIR P43119 1/20 0.43
▸ CYP2D6 P10635 3/20 0.43
▸ EPHX2 P34913 2/20 0.43
▸ FAAH O00519 1/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ CNR2 P34972 1/20 0.43

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
SCHEMBL17465386 0.87 PPARA (0.49) PPARAPPARGPTGIR
SCHEMBL17465385 0.86 PPARA (0.49) PPARAPPARGPTGIRCYP2D6EPHX2
SCHEMBL16984604 0.85 PPARA (0.51) PPARAPPARGEPHX2FAAHCNR1
SCHEMBL23675907 0.84 PPARA (0.55) PPARAPPARGPTGIRCYP2D6CNR1
SCHEMBL14520574 0.83 PPARA (0.59) PPARAPPARGPTGIRCYP2D6EPHX2
SCHEMBL17424577 0.83 PPARA (0.62) PPARAPPARGPTGIRCYP2D6EPHX2
SCHEMBL22632056 0.81 PPARA (0.47) PPARAPPARGPTGIRCYP2D6EPHX2
SCHEMBL10236068 0.80 PPARA (0.67) PPARAPPARGCYP2D6CNR1CNR2
SCHEMBL8957636 0.80 PPARA (0.67) PPARAPPARGCYP2D6CNR1CNR2
SCHEMBL5387336 0.80 PPARA (0.67) PPARAPPARGCYP2D6CNR1CNR2

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-9630897-B2 Monomers and polymers derived from natural phenols NDSU RESEARCH FOUNDATION (US) 2017-04-25 — — US disclosed
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