SCHEMBL4666017

SCHEMBL4666017

CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)C(O)C(=O)C=Cc1ccc(O)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 4/20 0.52
▸ PPARG P37231 1/20 0.51
▸ TOP2A P11388 1/20 0.50
▸ TRPV1 Q8NER1 5/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ CYP2D6 P10635 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ MTOR P42345 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ CYP2E1 P05181 1/20 0.46
▸ ALOX5 P09917 1/20 0.46
▸ LTA4H P09960 1/20 0.46
▸ CYP2C8 P10632 1/20 0.46
▸ CYP2A6 P11509 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2B6 P20813 1/20 0.46

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
SCHEMBL7762237 0.87 TRPV1 (0.49) HTR1APPARGTOP2ATRPV1CYP1A2
Glyceryl Monooleate SCHEMBL27768092 0.82 DGKA (0.59) HTR1APPARGTOP2ATRPV1CYP1A2
SCHEMBL2833864 0.82 PRKCA (0.57) HTR1APPARGTOP2ATRPV1CYP1A2
SCHEMBL2832869 0.80 MAOB (0.55) HTR1APPARGTOP2ATRPV1CYP1A2
SCHEMBL9063847 0.80 HTR1A (0.61) HTR1APPARGTOP2ATRPV1CYP1A2
SCHEMBL7701163 0.80 PRKCA (0.53) HTR1ATOP2ATRPV1CYP1A2CYP3A4
SCHEMBL2832717 0.79 PPARG (0.57) HTR1APPARGTOP2ATRPV1CYP1A2
SCHEMBL2829889 0.79 MAOB (0.55) HTR1APPARGTOP2ATRPV1CYP1A2
Oleic Acid SCHEMBL27768091 0.78 HTR1A (0.54) HTR1APPARGTRPV1CYP1A2CYP3A4
SCHEMBL31500944 0.78 PPARG (0.56) HTR1APPARGTOP2ATRPV1CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948318-A1 COMPOSITIONS COMPRISING A UV-ABSORBING CHROMOPHORE AND METHODS OF MAKING AND USING SAME BIOTECHNOLOGY RESEARCH AND DEVELOPMENT CORPORATION (US) 2008-07-30 — — EP disclosed
WO-2007041424-A1 COMPOSITIONS COMPRISING A UV-ABSORBING CHROMOPHORE AND METHODS OF MAKING AND USING SAME BIOTECHNOLOGY RESEARCH & DEVELOPMENT CORPORATION (US) 2007-04-12 — — WO disclosed
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