SCHEMBL7975614

SCHEMBL7975614

CCCCCCCC(=O)OC[C@]1(c2ccc3c(c2)OC(C)(C)C=C3CCCC)C[C@@H]1C

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 11/20 0.36
ALDH1A1 P00352 1/20 0.35
PRKCD Q05655 1/20 0.34
NLRP3 Q96P20 1/20 0.34
PRKCE Q02156 1/20 0.33

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
SCHEMBL7978351 0.87 PRKCA (0.36) PRKCAALDH1A1PRKCDNLRP3PRKCE
SCHEMBL38656869 0.60 DGKA (0.46) PRKCAPRKCD
SCHEMBL38654714 0.60 DGKA (0.53) PRKCAALDH1A1
SCHEMBL5372668 0.58 DGKA (0.53) PRKCAPRKCD
SCHEMBL5369426 0.58 DGKA (0.53) PRKCAPRKCD
SCHEMBL5372816 0.56 PRKCA (0.50) PRKCAPRKCD
P-Xylene SCHEMBL15987887 0.56 DGKA (0.75) ALDH1A1
Ethylene Glycol Dioctanoate SCHEMBL15987600 0.56 DGKA (0.75) ALDH1A1
P-Xylene SCHEMBL6536586 0.56 DGKA (0.75) ALDH1A1
P-Xylene SCHEMBL15987620 0.56 DGKA (0.75) ALDH1A1

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-2001070662-A2 2,4-PENTADIENOIC ACID DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X (RXR) RECEPTORS ALLERGAN , INC. (US) 2001-09-27 WO disclosed