SCHEMBL6399743

SCHEMBL6399743

CCCCCCOC(=O)c1cccc(-c2ccccc2)c1C(=O)OCCCCCC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.67
TSHR P16473 4/20 0.67
LMNA P02545 2/20 0.67
CYP3A4 P08684 2/20 0.64
MAPK1 P28482 2/20 0.64
TP53 P04637 1/20 0.64
HSD17B10 Q99714 2/20 0.59
KDM4E B2RXH2 2/20 0.59
POLB P06746 1/20 0.59
L3MBTL1 Q9Y468 3/20 0.57
TDP1 Q9NUW8 2/20 0.57
SCN1A P35498 2/20 0.56
SCN2A Q99250 2/20 0.56
SCN3A Q9NY46 2/20 0.56
CNR2 P34972 1/20 0.51
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PTPN11 Q06124 2/20 0.48
FAAH O00519 1/20 0.47
CHRM2 P08172 2/20 0.46

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
SCHEMBL28029433 1.00 ALDH1A1 (0.67) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL3264094 0.99 TSHR (0.66) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL27364778 0.95 TSHR (0.65) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL6399746 0.94 ALDH1A1 (0.65) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL9587930 0.92 ALDH1A1 (0.73) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL28161619 0.90 TSHR (0.58) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL5975125 0.89 ALDH1A1 (0.74) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL5975366 0.89 ALDH1A1 (0.74) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL28754871 0.89 ALDH1A1 (0.63) ALDH1A1TSHRLMNACYP3A4MAPK1
Biphenyl SCHEMBL10955049 0.88 ALDH1A1 (0.58) ALDH1A1TSHRLMNACYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5124384-A Polymer latex with plasticizers: alky aryl phthalate and alkyl arylsulfonamide; transparent AIR PRODUCTS AND CHEMICALS, INC. (US) 1992-06-23 US claimed
US-6900265-B2 Antimicrobial polymer latexes derived from unsaturated quaternary ammonium compounds and antimicrobial coatings, sealants, adhesives and elastomers produced from such latexes STEPAN COMPANY (US) 2005-05-31 US disclosed
US-20040092632-A1 Antimicrobial polymer latexes derived from unsaturated quaternary ammonium compounds and antimicrobial coatings, sealants, adhesives and elastomers produced from such latexes STEPAN COMPANY 2004-05-13 US disclosed
EP-1102794-B1 IMPROVED COATINGS, SEALANTS, ADHESIVES AND ELASTOMERS UTILIZING POLYMER LATEXES DERIVED FROM UNSATURATED AMINE SALTS STEPAN CO (US) 2004-02-25 EP disclosed
US-6492445-B2 DERIVED FROM EMULSION POLYMERIZATION OF ETHYLENICALLY UNSATURATED SULFONIC, PHOSPHORIC AND/OR CARBOXYLIC ACIDS, AND SUBSTANTIALLY SATURATED ANTIMICROBIAL QUATERNARY AMMONIUM COMPOUNDS; PROLONGED ANTIMICROBIAL ACTIVITY STEPAN COMPANY 2002-12-10 US disclosed
US-20020040092-A1 Antimicrobial polymer latexes derived from unsaturated quaternary ammonium compounds and antimicrobial coatings, sealant, adhesives and elastomers produced from such latexes STEPAN COMPANY 2002-04-04 US disclosed
EP-1105429-A1 ANTIMICROBIAL POLYMER LATEXES DERIVED FROM UNSATURATED QUATERNARY AMMONIUM COMPOUNDS AND ANTIMICROBIAL COATINGS, SEALANTS, ADHESIVES AND ELASTOMERS PRODUCED FROM SUCH LATEXES STEPAN COMPANY (US) 2001-06-13 EP disclosed
US-6242526-B1 MONOMER UNIT IS DERIVED FROM AN ETHYLENICALLY UNSATURATED MONOMER AND THE SURFACE ACTIVE AGENT UNIT IS DERIVED FROM A POLYMERIZABLE ANTIBACTERIAL QUATERNARY AMMONIUM COMPOUND. STEPAN COMPANY 2001-06-05 US disclosed
EP-1102794-A1 IMPROVED COATINGS, SEALANTS, ADHESIVES AND ELASTOMERS UTILIZING POLYMER LATEXES DERIVED FROM UNSATURATED AMINE SALTS STEPAN COMPANY (US) 2001-05-30 EP disclosed
WO-2000006612-A1 ANTIMICROBIAL POLYMER LATEXES DERIVED FROM UNSATURATED QUATERNARY AMMONIUM COMPOUNDS AND ANTIMICROBIAL COATINGS, SEALANTS, ADHESIVES AND ELASTOMERS PRODUCED FROM SUCH LATEXES STEPAN COMPANY (US) 2000-02-10 WO disclosed
WO-2000006611-A1 IMPROVED COATINGS, SEALANTS, ADHESIVES AND ELASTOMERS UTILIZING POLYMER LATEXES DERIVED FROM UNSATURATED AMINE SALTS STEPAN COMPANY (US) 2000-02-10 WO disclosed
US-5124384-A Polymer latex with plasticizers: alky aryl phthalate and alkyl arylsulfonamide; transparent AIR PRODUCTS AND CHEMICALS, INC. (US) 1992-06-23 US disclosed