SCHEMBL6436392

SCHEMBL6436392

CCCCCCCCCCC=CCCCC(OCC)OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.47
TRPV1 Q8NER1 1/20 0.47
ALDH1A1 P00352 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
LPAR3 Q9UBY5 1/20 0.42
GMNN O75496 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
APEX1 P27695 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL6436391 1.00 FAAH (0.47) FAAHTRPV1ALDH1A1CNR1CNR2
SCHEMBL34463873 0.96 FAAH (0.47) FAAHTRPV1ALDH1A1CNR1CNR2
SCHEMBL10390188 0.92 FAAH (0.42) FAAHTRPV1ALDH1A1CNR1CNR2
SCHEMBL10390187 0.92 FAAH (0.42) FAAHTRPV1ALDH1A1CNR1CNR2
SCHEMBL20912483 0.91 ALDH1A1 (0.50) TRPV1ALDH1A1CNR1CNR2LMNA
SCHEMBL20536669 0.91 ALDH1A1 (0.50) TRPV1ALDH1A1CNR1CNR2LMNA
SCHEMBL20912484 0.91 ALDH1A1 (0.50) TRPV1ALDH1A1CNR1CNR2LMNA
SCHEMBL26650545 0.90 FAAH (0.41) FAAHTRPV1ALDH1A1CNR1CNR2
SCHEMBL3508889 0.90 FAAH (0.43) FAAHTRPV1ALDH1A1CNR1CNR2
SCHEMBL31141211 0.89 ALDH1A1 (0.46) ALDH1A1CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100528829-C Metathesis synthesis of pheromones or components thereof R L PEDERSON R H GRUBBS (US) 2009-08-19 CN disclosed
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
CN-1423629-A Metathesis synthesis of pheromones or components thereof PEDERSON R L (US) 2003-06-11 CN disclosed
EP-1230207-A2 METATHESIS SYNTHESES OF PHEROMONES OR THEIR COMPONENTS Pederson, Richard L. (US) 2002-08-14 EP disclosed
US-20020022741-A1 Metathesis syntheses of pheromones or their components MATERIA, INC. 2002-02-21 US disclosed
WO-2001036368-A2 METATHESIS SYNTHESES OF PHEROMONES OR THEIR COMPONENTS PEDERSON RICHARD L (US) 2001-05-25 WO disclosed