SCHEMBL391037

SCHEMBL391037

CCCC(C)(C)C=C(C(=O)O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 3/20 0.44
CES2 O00748 5/20 0.40
CES1 P23141 5/20 0.40
AKR1C2 P52895 2/20 0.40
AKR1C3 P42330 2/20 0.40
PTGS2 P35354 1/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
MAPK1 P28482 1/20 0.37
HTR1A P08908 1/20 0.37
CYP2D6 P10635 1/20 0.37
SCN1A P35498 1/20 0.37
SLC6A3 Q01959 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL9302871 0.86 AKR1C1 (0.47) AKR1C1CES2CES1AKR1C2AKR1C3
SCHEMBL3697210 0.86 AKR1C1 (0.47) AKR1C1CES2CES1AKR1C2AKR1C3
SCHEMBL525212 0.78 AKR1C1 (0.53) AKR1C1CES2CES1AKR1C2AKR1C3
SCHEMBL6259485 0.72 AKR1C1 (0.50) AKR1C1CES2CES1AKR1C2AKR1C3
SCHEMBL8041704 0.72 AKR1C1 (0.50) AKR1C1CES2CES1AKR1C2AKR1C3
SCHEMBL8041709 0.72 AKR1C1 (0.50) AKR1C1CES2CES1AKR1C2AKR1C3
SCHEMBL348321 0.71 AKR1C1 (0.53) AKR1C1CES2CES1AKR1C2AKR1C3
SCHEMBL7146890 0.71 AKR1C1 (0.53) AKR1C1CES2CES1AKR1C2AKR1C3
SCHEMBL29246413 0.71 AKR1C1 (0.53) AKR1C1CES2CES1AKR1C2AKR1C3
SCHEMBL3039305 0.71 AKR1C1 (0.53) AKR1C1CES2CES1AKR1C2AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551885-B1 PROCESS TO MODIFY POLYMERIC MATERIALS 3M INNOVATIVE PROPERTIES CO (US) 2016-02-17 EP disclosed
US-20120101231-A1 Polymer Composition prepared from acrylic polymer grafted with a functionalized block copolymers KRATON POLYMERS U.S. LLC (US) 2012-04-26 US disclosed
US-8101711-B2 Process to modify polymeric materials and resulting compositions 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-01-24 US disclosed
US-20100130670-A1 END USE APPLICATIONS PREPARED FROM CERTAIN BLOCK COPOLYMERS KRATON POLYMERS US LLC (US) 2010-05-27 US disclosed
US-20100048819-A1 PROCESS TO MODIFY POLYMERIC MATERIALS AND RESULTING COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY 2010-02-25 US disclosed
US-7632916-B2 Thermally induced graft polymerization in an apparatus by shearing, devolatilization; grafting isoprene-t-butyl methacrylate copolymer with polyoxyethylene glycol methyl ether, forming methacrylic acid/anhydride monomers 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-12-15 US disclosed
US-20090093584-A1 End Use Applications Prepared From Certain Block Copolymers KRATON POLYMERS U.S. LLC (US) 2009-04-09 US disclosed
US-20070122915-A1 Continuous process for the production of combinatorial libraries of modified materials 3M INNOVATIVE PROPETIES COMPANY 2007-05-31 US disclosed
US-7157283-B2 Continuous process for the production of combinatorial libraries of modified materials 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-01-02 US disclosed
EP-1551885-A2 PROCESS TO MODIFY POLYMERIC MATERIALS AND RESULTING COMPOSITIONS 3M Innovative Properties Company (US) 2005-07-13 EP disclosed
WO-2004013189-A2 PROCESS TO MODIFY POLYMERIC MATERIALS AND RESULTING COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-02-12 WO disclosed
US-20040023398-A1 Continuous process for the production of combinatorial libraries of modified materials 3M INNOVATIVE PROPERTIES COMPANY 2004-02-05 US disclosed
US-20040024130-A1 Process to modify polymeric materials and resulting compositions 3M INNOVATIVE PROPERTIES COMPANY 2004-02-05 US disclosed
US-5338802-A Low temperature conversion of polymerized esters SHELL OIL COMPANY (US) 1994-08-16 US disclosed
EP-0603965-A2 Modified block copolymers and process for the preparation thereof SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1994-06-29 EP disclosed
EP-0569100-A1 Polymers having stable anhydride rings SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1993-11-10 EP disclosed
US-5218053-A Anionically polymerizing conjugated alkadienes or alkenyl aromatics and an unsaturated ester; hydrogenating; heating to cyclize SHELL OIL COMPANY (US) 1993-06-08 US disclosed