SCHEMBL6432267

SCHEMBL6432267

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.48
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
PRKCA P17252 1/20 0.41
GLS2 Q9UI32 1/20 0.40
FAAH O00519 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
F7 P08709 1/20 0.39
F3 P13726 1/20 0.39
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38

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
SCHEMBL6435409 0.93 TRPV1 (0.41) TRPV1FFAR1FFAR4PRKCAFAAH
SCHEMBL31628727 0.91 TRPV1 (0.54) TRPV1FFAR1FFAR4PRKCAFAAH
SCHEMBL5697377 0.91 TRPV1 (0.42) TRPV1FFAR1FFAR4PRKCAGLS2
SCHEMBL833219 0.91 TRPV1 (0.46) TRPV1FFAR1FFAR4PRKCAGLS2
SCHEMBL10379863 0.90 TRPV1 (0.44) TRPV1FFAR1FFAR4PRKCAFAAH
SCHEMBL833245 0.89 TRPV1 (0.45) TRPV1FFAR1FFAR4PRKCAGLS2
SCHEMBL17396607 0.89 TRPV1 (0.45) TRPV1FFAR1FFAR4PRKCAGLS2
SCHEMBL591904 0.89 TRPV1 (0.45) TRPV1FFAR1FFAR4PRKCAGLS2
SCHEMBL8439260 0.89 TRPV1 (0.45) TRPV1FFAR1FFAR4PRKCAGLS2
SCHEMBL31216703 0.89 TRPV1 (0.45) TRPV1FFAR1FFAR4PRKCAGLS2

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