SCHEMBL20215772

SCHEMBL20215772

CCCC/C=C/CCCCCCCCCc1cccc(OCC(O)COCC(C)(CC)COCC(O)COc2cccc(CCCCCCCCC/C=C/CCCC)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 8/20 0.54
▸ PPARG P37231 5/20 0.52
▸ PTGIR P43119 1/20 0.46
▸ FAAH O00519 2/20 0.38
▸ EPHX2 P34913 2/20 0.38
▸ CYP2D6 P10635 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 1/20 0.37

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
SCHEMBL18056769 0.91 PPARA (0.55) PPARAPPARGPTGIRFAAHEPHX2
SCHEMBL18056922 0.88 PPARA (0.60) PPARAPPARGPTGIRFAAHEPHX2
SCHEMBL16767914 0.88 PPARA (0.65) PPARAPPARGPTGIRFAAHEPHX2
SCHEMBL18056767 0.84 PPARA (0.56) PPARAPPARGPTGIRCYP2D6
SCHEMBL19230121 0.83 PPARA (0.53) PPARAPPARGPTGIRFAAHEPHX2
SCHEMBL18056766 0.83 PPARA (0.55) PPARAPPARGPTGIRFAAHEPHX2
SCHEMBL19242172 0.83 PPARA (0.55) PPARAPPARGPTGIRFAAHEPHX2
SCHEMBL18056770 0.83 PPARA (0.59) PPARAPPARGPTGIRFAAHEPHX2
SCHEMBL18056768 0.82 PPARA (0.57) PPARAPPARGPTGIRCYP2D6
SCHEMBL18558873 0.81 PPARA (0.53) PPARAPPARGPTGIRFAAHEPHX2

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-9988484-B2 Cardanol modified epoxy polyol DOW GLOBAL TECHNOLOGIES LLC 2018-06-05 — — US disclosed
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