SCHEMBL4613249

SCHEMBL4613249

C=CC(=O)OCC(CC)(CC)NC.COS(=O)(=O)O

nearest known ligand 0.41

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
ALDH1A1 P00352 4/20 0.40
TP53 P04637 3/20 0.40
HIF1A Q16665 3/20 0.40
CYP3A4 P08684 2/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 7/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL8976328 0.83 ALDH1A1 (0.43) THRBALDH1A1TP53HIF1ACYP3A4
Acrylic Acid Ethyl Ester SCHEMBL28294928 0.76 TSHR (0.47) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL4065764 0.75 ALDH1A1 (0.49) THRBALDH1A1TP53HIF1ACYP3A4
Sulfuric Acid SCHEMBL8717714 0.74 ALDH1A1 (0.47) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL21880085 0.72 TSHR (0.44) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL13508286 0.71 ALDH1A1 (0.47) THRBALDH1A1TP53HIF1ACYP3A4
Acrylic Acid Ethyl Ester SCHEMBL2379184 0.71 TSHR (0.43) THRBALDH1A1TP53HIF1ACYP3A4
Acrylic Acid Methyl Ester SCHEMBL27656259 0.71 HCAR2 (0.42) ALDH1A1TP53HIF1ACYP3A4MAPK1
Acrylic Acid Methyl Ester SCHEMBL28844449 0.71 TSHR (0.37) THRBALDH1A1TP53HIF1ACYP3A4
Acrylic Acid Ethyl Ester SCHEMBL27793421 0.70 TSHR (0.42) THRBALDH1A1TP53HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054923-A1 RAPID SET LATEXES AND FOAMED ARTICLES PREPARED THEREFROM THE DOW CHEMICAL COMPANY (US) 2000-11-29 EP claimed
WO-1999042517-A1 RAPID SET LATEXES AND FOAMED ARTICLES PREPARED THEREFROM THE DOW CHEMICAL COMPANY (US) 1999-08-26 WO claimed
EP-1149119-B1 POLYMERS CONTAINING PARTIALLY NEUTRALIZED SILANOLS DOW GLOBAL TECHNOLOGIES INC (US) 2008-03-12 EP disclosed
EP-0983052-B1 MULTISOLVENT-BASED FILM-FORMING COMPOSITIONS DOW GLOBAL TECHNOLOGIES INC (US) 2004-09-01 EP disclosed
EP-1109628-B1 A FILM-FORMING POLYMERIC SOL COMPOSITION DOW GLOBAL TECHNOLOGIES INC (US) 2003-11-12 EP disclosed
EP-0882079-B1 REVERSIBLE AND IRREVERSIBLE WATER-BASED COATINGS DOW CHEMICAL CO (US) 2003-01-08 EP disclosed
US-6359110-B1 FORMING A SOLUTION OF A POLYMER THAT CONTAINS PENDANT CATIONIC GROUPS AND PENDANT ACID GROUPS IN AN AQUEOUS-BASED SOLVENT FOR POLYMER, CONCOMITANTLY ADDING WATER AND REMOVING SOLVENT TO FORM REVERSIBLY DISSOLVABLE AND RECONSTITUTABLE FORMULATION THE DOW CHEMICAL COMPANY 2002-03-19 US disclosed
US-20010037002-A1 Polymers containing partially neutralized silanols LADIKA MLADEN (US) 2001-11-01 US disclosed
EP-1149119-A1 POLYMERS CONTAINING PARTIALLY NEUTRALIZED SILANOLS THE DOW CHEMICAL COMPANY (US) 2001-10-31 EP disclosed
EP-1109628-A1 A FILM-FORMING POLYMERIC SOL COMPOSITION THE DOW CHEMICAL COMPANY (US) 2001-06-27 EP disclosed
WO-2000043427-A1 POLYMERS CONTAINING PARTIALLY NEUTRALIZED SILANOLS THE DOW CHEMICAL COMPANY (US) 2000-07-27 WO disclosed
WO-2000015356-A1 A FILM-FORMING POLYMERIC SOL COMPOSITION THE DOW CHEMICAL COMPANY (US) 2000-03-23 WO disclosed
EP-0983052-A1 MULTISOLVENT-BASED FILM-FORMING COMPOSITIONS THE DOW CHEMICAL COMPANY (US) 2000-03-08 EP disclosed
EP-0882079-A1 REVERSIBLE AND IRREVERSIBLE WATER-BASED COATINGS THE DOW CHEMICAL COMPANY (US) 1998-12-09 EP disclosed
WO-1998053796-A1 MULTISOLVENT-BASED FILM-FORMING COMPOSITIONS THE DOW CHEMICAL COMPANY (US) 1998-12-03 WO disclosed
WO-1997031042-A1 REVERSIBLE AND IRREVERSIBLE WATER-BASED COATINGS THE DOW CHEMICAL COMPANY (US) 1997-08-28 WO disclosed