SCHEMBL6435409

SCHEMBL6435409

CCC=CCC(CC/C=C\CCCC)OC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.41
PRKCA P17252 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
FAAH O00519 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
F7 P08709 1/20 0.37
F3 P13726 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
SCHEMBL6432267 0.93 TRPV1 (0.48) TRPV1PRKCANFKB1NFKB2RELA
SCHEMBL3751160 0.92 PTGS1 (0.37) TRPV1PRKCAALDH1A1MAPTFFAR1
SCHEMBL5697377 0.89 TRPV1 (0.42) TRPV1PRKCAFAAHALDH1A1MAPT
SCHEMBL833219 0.89 TRPV1 (0.46) TRPV1PRKCANFKB1NFKB2RELA
SCHEMBL591904 0.88 TRPV1 (0.45) TRPV1PRKCAFAAHALDH1A1MAPT
SCHEMBL833212 0.88 TRPV1 (0.45) TRPV1PRKCAFAAHALDH1A1MAPT
SCHEMBL833245 0.88 TRPV1 (0.45) TRPV1PRKCAFAAHALDH1A1MAPT
SCHEMBL10379863 0.85 TRPV1 (0.44) TRPV1PRKCAFAAHFFAR1FFAR4
SCHEMBL17396607 0.84 TRPV1 (0.45) TRPV1PRKCAFAAHFFAR1FFAR4
SCHEMBL31216719 0.84 TRPV1 (0.45) TRPV1PRKCAFAAHFFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1230207-B1 METATHESIS SYNTHESES OF PHEROMONES OR THEIR COMPONENTS PEDERSON RICHARD L (US) 2005-06-22 EP disclosed
US-6696597-B2 CROSS-METATHESIZING A TERMINAL OLEFIN AND INTERNAL OLEFIN IN PRESENCE OF CATALYST, TO FORM METATHESIS PRODUCT AND A SIDE PRODUCT; APPLYING CONDITIONS OF SUFFICIENTLY HIGH TEMPERATURE AND/OR LOW PRESSURE TO EVAPORTE SIDE PRODUCT TILLIECHEM, INC. 2004-02-24 US disclosed
US-20020022741-A1 Metathesis syntheses of pheromones or their components MATERIA, INC. 2002-02-21 US disclosed