SCHEMBL20779106

SCHEMBL20779106

CCCC/C=C/C/C=C/CCCCCCc1cccc(OCC2CO2)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 6/20 0.57
▸ ALDH1A1 P00352 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ PPARG P37231 3/20 0.49
▸ PTGIR P43119 1/20 0.43
▸ FAAH O00519 1/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ CNR1 P21554 1/20 0.42
▸ CNR2 P34972 1/20 0.42

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
SCHEMBL12809420 0.96 PPARA (0.55) PPARAALDH1A1TP53CYP3A4TSHR
SCHEMBL4452302 0.96 PPARA (0.55) PPARAALDH1A1TP53CYP3A4TSHR
SCHEMBL32675259 0.96 PPARA (0.55) PPARAALDH1A1TP53CYP3A4TSHR
SCHEMBL22632289 0.95 PPARA (0.63) PPARAALDH1A1TP53CYP3A4TSHR
SCHEMBL30690430 0.95 PPARA (0.63) PPARAALDH1A1TP53CYP3A4TSHR
SCHEMBL22610063 0.89 ALDH1A1 (0.50) PPARAALDH1A1TP53CYP3A4TSHR
SCHEMBL17263526 0.89 ALDH1A1 (0.50) PPARAALDH1A1TP53CYP3A4TSHR
SCHEMBL29983667 0.89 ALDH1A1 (0.50) PPARAALDH1A1TP53CYP3A4TSHR
SCHEMBL27749391 0.89 PPARA (0.54) PPARAALDH1A1TP53CYP3A4TSHR
SCHEMBL4648034 0.88 ALDH1A1 (0.60) PPARAALDH1A1TP53CYP3A4TSHR

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
WO-2019038040-A1 CURABLE (METH) ACRYLATE COMPOSITIONS Henkel IP & Holding GmbH (DE) 2019-02-28 — — WO disclosed
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