SCHEMBL4899655

SCHEMBL4899655

CC(=O)OCCCC=CCCCOC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
TSHR P16473 1/20 0.50
LMNA P02545 2/20 0.48
HSD17B10 Q99714 1/20 0.48
CHRM5 P08912 2/20 0.44
CHRM1 P11229 2/20 0.44
CHRM3 P20309 2/20 0.44
PGR P06401 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
HTR1A P08908 1/20 0.44
CHRNB2 P17787 1/20 0.44
TBXA2R P21731 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
CHRNA10 Q9GZZ6 1/20 0.44
CHRNA9 Q9UGM1 1/20 0.44

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
SCHEMBL4899651 1.00 ALDH1A1 (0.58) ALDH1A1TSHRLMNAHSD17B10CHRM5
SCHEMBL11483637 0.95 ALDH1A1 (0.54) ALDH1A1TSHRLMNAHSD17B10CHRM5
SCHEMBL11483641 0.95 ALDH1A1 (0.54) ALDH1A1TSHRLMNAHSD17B10CHRM5
SCHEMBL11492309 0.93 ALDH1A1 (0.52) ALDH1A1TSHRLMNAHSD17B10SMN1; SMN2
SCHEMBL6514616 0.93 ALDH1A1 (0.52) ALDH1A1TSHRLMNAHSD17B10SMN1; SMN2
SCHEMBL11492311 0.93 ALDH1A1 (0.52) ALDH1A1TSHRLMNAHSD17B10SMN1; SMN2
SCHEMBL6514612 0.93 ALDH1A1 (0.52) ALDH1A1TSHRLMNAHSD17B10SMN1; SMN2
SCHEMBL1905076 0.93 ALDH1A1 (0.56) ALDH1A1TSHRLMNACHRM5CHRM1
SCHEMBL7910175 0.93 ALDH1A1 (0.56) ALDH1A1TSHRLMNACHRM5CHRM1
SCHEMBL1905075 0.93 ALDH1A1 (0.56) ALDH1A1TSHRLMNACHRM5CHRM1

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1395534-B1 IMPURITY INHIBITION IN OLEFIN METATHESIS REACTIONS MATERIA INC (US) 2017-08-30 EP claimed
CN-100528829-C Metathesis synthesis of pheromones or components thereof R L PEDERSON R H GRUBBS (US) 2009-08-19 CN claimed
EP-1230207-B1 METATHESIS SYNTHESES OF PHEROMONES OR THEIR COMPONENTS PEDERSON RICHARD L (US) 2005-06-22 EP claimed
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 claimed
CN-1423629-A Metathesis synthesis of pheromones or components thereof PEDERSON R L (US) 2003-06-11 CN claimed
EP-1230207-A2 METATHESIS SYNTHESES OF PHEROMONES OR THEIR COMPONENTS Pederson, Richard L. (US) 2002-08-14 EP claimed
US-20020022741-A1 Metathesis syntheses of pheromones or their components MATERIA, INC. 2002-02-21 US claimed
WO-2001036368-A2 METATHESIS SYNTHESES OF PHEROMONES OR THEIR COMPONENTS PEDERSON RICHARD L (US) 2001-05-25 WO claimed
EP-0057736-B1 OLEFIN DISPROPORTIONATION PROCESS AND CATALYST PHILLIPS PETROLEUM COMPANY (US) 1986-11-20 EP claimed
US-4269780-A CATALYSTS COMPRISING CARBENE METAL COMPLEXES AND METAL HALIDES AND OXYHALIDES AS ACTIVATORS; POLYMERIZATION INHIBITION PHILLIPS PETROLEUM COMPANY (US) 1981-05-26 US claimed
EP-1395534-B1 IMPURITY INHIBITION IN OLEFIN METATHESIS REACTIONS MATERIA INC (US) 2017-08-30 EP disclosed
EP-1446437-B1 COMPOUNDS CONTAINING QUATERNARY CARBONS, MEDICAL DEVICES, AND METHODS MEDTRONIC INC (US) 2015-04-15 EP disclosed
CN-100528829-C Metathesis synthesis of pheromones or components thereof R L PEDERSON R H GRUBBS (US) 2009-08-19 CN disclosed
US-20080064845-A9 Compounds containing quaternary carbons, medical devices, and methods MEDTRONIC, INC. (US) 2008-03-13 US disclosed
US-20060252905-A1 Compounds containing quaternary carbons, medical devices, and methods MEDTRONIC, INC. (US) 2006-11-09 US disclosed
WO-2001036368-A2 METATHESIS SYNTHESES OF PHEROMONES OR THEIR COMPONENTS PEDERSON RICHARD L (US) 2001-05-25 WO disclosed
EP-0057736-B1 OLEFIN DISPROPORTIONATION PROCESS AND CATALYST PHILLIPS PETROLEUM COMPANY (US) 1986-11-20 EP disclosed
EP-0057736-A1 Olefin disproportionation process and catalyst PHILLIPS PETROLEUM COMPANY (US) 1982-08-18 EP disclosed
US-4331559-A Olefin disproportionation PHILLIPS PETROLEUM COMPANY (US) 1982-05-25 US disclosed
US-4269780-A CATALYSTS COMPRISING CARBENE METAL COMPLEXES AND METAL HALIDES AND OXYHALIDES AS ACTIVATORS; POLYMERIZATION INHIBITION PHILLIPS PETROLEUM COMPANY (US) 1981-05-26 US disclosed