SCHEMBL2111619

SCHEMBL2111619

C=C(C(=O)O)C(CCC)N(C#N)C(C)=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.34
AKR1A1 P14550 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GRIK1 P39086 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
GRIK2 Q13002 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
SCHEMBL2111211 0.91 CA2 (0.33) SLC1A3SLC1A2SLC1A1
SCHEMBL2112622 0.87 ALDH1A1 (0.31)
SCHEMBL3277976 0.73 CHRM1 (0.43) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3278772 0.72 HTR2A (0.41) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3282832 0.70 CHRM1 (0.40) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3820321 0.68 HDAC1 (0.56) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL5935305 0.68 CHRM1 (0.37) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL651077 0.65 CHRM1 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1259560 0.64 HDAC1 (0.44) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL9319770 0.63 CA2 (0.39) GRIK1SLC1A3SLC1A2SLC1A1GRIK2

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
US-7795343-B2 Polymer composition ROHM AND HAAS COMPANY (US) 2010-09-14 US claimed
US-20080139737-A1 Polymer composition ROHM AND HAAS COMPANY 2008-06-12 US claimed
US-8815997-B2 Aqueous compositions comprising ion exchange resins that deliver paint and primer properties in a coating ROHM AND HAAS COMPANY (US) 2014-08-26 US disclosed
US-8791190-B2 Stabilized aqueous compositions comprising cationic polymers that deliver paint and primer properties in a coating ROHM AND HAAS COMPANY (US) 2014-07-29 US disclosed
EP-2518116-B1 Aqueous compositions comprising ion exchange resins that deliver paint and primer properties in a coating ROHM & HAAS (US) 2014-07-02 EP disclosed
US-20120277333-A1 STABILIZED AQUEOUS COMPOSITIONS COMPRISING CATIONIC POLYMERS THAT DELIVER PAINT AND PRIMER PROPERTIES IN A COATING ROHM AND HAAS COMPANY 2012-11-01 US disclosed
US-20120277334-A1 AQUEOUS COMPOSITIONS COMPRISING ION EXCHANGE RESINS THAT DELIVER PAINT AND PRIMER PROPERTIES IN A COATING ROHM AND HAAS COMPANY 2012-11-01 US disclosed
EP-2518116-A1 Aqueous compositions comprising ion exchange resins that deliver paint and primer properties in a coating Rohm and Haas Company (US) 2012-10-31 EP disclosed
US-8158713-B2 Scrub and stain-resistant coating ROHM AND HAAS COMPANY (US) 2012-04-17 US disclosed
US-8158714-B2 Scrub and stain-resistant coating compositions, method for manufacturing thereof and articles comprising the same ROHM AND HAAS COMPANY (US) 2012-04-17 US disclosed
US-7795343-B2 Polymer composition ROHM AND HAAS COMPANY (US) 2010-09-14 US disclosed
US-20090326135-A1 SCRUB AND STAIN-RESISTANT COATING COMPOSITIONS, METHOD FOR MANUFACTURING THEREOF AND ARTICLES COMPRISING THE SAME ROHM AND HAAS (US) 2009-12-31 US disclosed
US-20090171005-A1 Scrub and stain-resistant coating ROHM AND HAAS COMPANY 2009-07-02 US disclosed
US-20080139737-A1 Polymer composition ROHM AND HAAS COMPANY 2008-06-12 US disclosed
US-20070238827-A1 Dirt pickup resistant coating binder having high adhesion to substrates BRADY JEAN M 2007-10-11 US disclosed