SCHEMBL2467911

SCHEMBL2467911

O=C(O)C=CCCS(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 3/20 0.42
TSHR P16473 3/20 0.42
GABRR1 P24046 2/20 0.42
GABRR2 P28476 2/20 0.42
LMNA P02545 2/20 0.42
GABRR3 A8MPY1 1/20 0.42
APEX1 P27695 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TP53 P04637 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
EGLN3 Q9H6Z9 1/20 0.36
PTGS1 P23219 1/20 0.35
PDE4A P27815 1/20 0.35
SLC6A6 P31641 1/20 0.35
CYP2C19 P33261 1/20 0.35
TBXAS1 P24557 4/20 0.33
EPHX2 P34913 1/20 0.33
APP P05067 1/20 0.32
PTPN1 P18031 1/20 0.31

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
SCHEMBL1132709 0.86 EPHX2 (0.41) BLMTSHRGABRR1GABRR2LMNA
Fumaric Acid SCHEMBL6235895 0.79 TSHR (0.53) BLMTSHRGABRR1GABRR2LMNA
SCHEMBL5425315 0.77 CA1 (0.50) BLMLMNAPTGS1PDE4ASLC6A6
Potassium Ion SCHEMBL5426057 0.77 CA1 (0.56) BLMLMNAPTGS1PDE4ASLC6A6
SCHEMBL1697139 0.77 PTGS1 (0.39) BLMTSHRLMNAAPEX1PTGS1
SCHEMBL273087 0.76 TSHR (0.58) BLMTSHRGABRR1GABRR2LMNA
SCHEMBL9726354 0.76 TSHR (0.58) BLMTSHRGABRR1GABRR2LMNA
Ammonia Solution, Strong SCHEMBL4613751 0.75 PTGS1 (0.38) BLMLMNAAPEX1PTGS1PDE4A
SCHEMBL2724872 0.75 TSHR (0.46) BLMTSHRGABRR1GABRR2LMNA
SCHEMBL22476036 0.74 HCAR2 (0.46) TSHRLMNANPSR1TP53EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9982074-B2 Use of composite films as a packaging material for oxidation-sensitive polymers, method for packaging oxidation-sensitive polymers, and packaging containing said composite films BASF SE (DE) 2018-05-29 US disclosed
US-20110220534-A1 USE OF COMPOSITE FILMS AS A PACKAGING MATERIAL FOR OXIDATION-SENSITIVE POLYMERS, METHOD FOR PACKAGING OXIDATION-SENSITIVE POLYMERS, AND PACKAGING CONTAINING SAID COMPOSITE FILMS BASF SE (DE) 2011-09-15 US 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-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-0123159-B1 POSITIVE-WORKING PHOTOSENSITIVE BENZOIN ESTERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-09-05 EP disclosed