SCHEMBL4653142

SCHEMBL4653142

C=CCCCC=CCOC(=O)/C=C/C(=O)OCC=CCCCC=C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
ALDH1A1 P00352 4/20 0.41
CYP3A4 P08684 3/20 0.39
LMNA P02545 2/20 0.39
USP2 O75604 1/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
APP P05067 1/20 0.38
CYP2C9 P11712 1/20 0.37
ABCC4 O15439 1/20 0.36
ATM Q13315 1/20 0.36
TSHR P16473 1/20 0.33
HCAR2 Q8TDS4 2/20 0.32
LPAR2 Q9HBW0 1/20 0.32
LPAR3 Q9UBY5 1/20 0.32

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
SCHEMBL4651805 1.00 MAPT (0.46) MAPTCACNA1BAPBA1ALDH1A1CYP3A4
SCHEMBL4653141 1.00 MAPT (0.46) MAPTCACNA1BAPBA1ALDH1A1CYP3A4
SCHEMBL4651813 1.00 MAPT (0.46) MAPTCACNA1BAPBA1ALDH1A1CYP3A4
SCHEMBL4651809 1.00 MAPT (0.46) MAPTCACNA1BAPBA1ALDH1A1CYP3A4
SCHEMBL8812925 0.93 HCAR2 (0.44) MAPTCACNA1BAPBA1ALDH1A1CYP3A4
SCHEMBL8812932 0.93 HCAR2 (0.44) MAPTCACNA1BAPBA1ALDH1A1CYP3A4
SCHEMBL7776938 0.91 MAPT (0.44) MAPTCACNA1BAPBA1ALDH1A1CYP3A4
SCHEMBL7776939 0.91 MAPT (0.44) MAPTCACNA1BAPBA1ALDH1A1CYP3A4
SCHEMBL7776943 0.91 MAPT (0.44) MAPTCACNA1BAPBA1ALDH1A1CYP3A4
SCHEMBL85756 0.90 TSHR (0.45) MAPTCACNA1BAPBA1ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0847380-B1 MIXTURE OF ESTERS AND USE THEREOF BP CHEM INT LTD (GB) 2001-08-16 EP claimed
US-6130275-A AS REACTIVE DILUENT INA PAINT OR COATING FORMULATION BP CHEMICALS LIMITED (GB) 2000-10-10 US claimed
WO-1997002326-A1 REACTIVE DILUENTS BP CHEMICALS LIMITED (GB) 1997-01-23 WO claimed
WO-1997002230-A1 REACTIVE DILUENTS BP CHEMICALS LIMITED (GB) 1997-01-23 WO claimed
EP-1608694-B1 PROCESS FOR THE PREPARATION OF HIGH SOLIDS URETHANE ALKYDS PPG BV (NL) 2008-11-05 EP disclosed
EP-1608694-A1 PROCESS FOR THE PREPARATION OF HIGH SOLIDS URETHANE ALKYDS SigmaKalon B.V. (NL) 2005-12-28 EP disclosed
WO-2004101639-A1 PROCESS FOR THE PREPARATION OF HIGH SOLIDS URETHANE ALKYDS SIGMAKALON B.V. (NL) 2004-11-25 WO disclosed
EP-0847380-B1 MIXTURE OF ESTERS AND USE THEREOF BP CHEM INT LTD (GB) 2001-08-16 EP disclosed
US-6130275-A AS REACTIVE DILUENT INA PAINT OR COATING FORMULATION BP CHEMICALS LIMITED (GB) 2000-10-10 US disclosed
US-6103801-A CATALYZING THE ESTERIFICATION REACTION OF MALEIC ACID, MALEIC ANHYDRIDE, FUMARIC ACID AND THE DIALKYL ESTER OF MALEIC OR FUMARIC ACID WITH AN ALCOHOL, THEN REACTING WITH ALKALINE EARTH METAL ALKOXIDE TO FORM A REACTIVE DILUENT IN A PAINT BP CHEMICALS LIMITED (GB) 2000-08-15 US disclosed
EP-0847380-A1 MIXTURE OF ESTERS AND USE THEREOF BP Chemicals Limited (GB) 1998-06-17 EP disclosed
WO-1998000387-A1 MIXTURE OF ESTERS AND USE THEREOF BP CHEMICALS LIMITED (GB) 1998-01-08 WO disclosed
WO-1997002230-A1 REACTIVE DILUENTS BP CHEMICALS LIMITED (GB) 1997-01-23 WO disclosed
WO-1997002326-A1 REACTIVE DILUENTS BP CHEMICALS LIMITED (GB) 1997-01-23 WO disclosed
WO-1997002326-A1 REACTIVE DILUENTS BP CHEMICALS LIMITED (GB) 1997-01-23 WO disclosed