SCHEMBL2352535

SCHEMBL2352535

CCC(=O)OCC[N+](C)(C)C.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.43

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA

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 20)

geneUniProtsupporting neighboursconfidence
CHRM1 known ✓ P11229 5/20 0.40
CHRM3 known ✓ P20309 5/20 0.40
CHRM2 known ✓ P08172 4/20 0.40
CHRM4 known ✓ P08173 4/20 0.40
CHRM5 known ✓ P08912 3/20 0.40
ADRA2A P08913 1/20 0.43
ADRA1A P35348 1/20 0.43
MAPT P10636 1/20 0.42
BLM P54132 1/20 0.42
LMNA P02545 3/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPK1 P28482 1/20 0.42
THPO P40225 1/20 0.42
CYP2C19 P33261 2/20 0.41
GAA P10253 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 1/20 0.40
HTR1A P08908 2/20 0.40

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
SCHEMBL16106182 0.89 ADRA2A (0.49) ADRA2AADRA1AMAPTBLMLMNA
SCHEMBL28167924 0.88 CYP1A2 (0.49) ADRA2AADRA1AMAPTBLMLMNA
Acetylcholine SCHEMBL14840380 0.87 CHRM1 (0.58) ADRA2AADRA1AMAPTBLMLMNA
SCHEMBL1403427 0.82 THRB (0.41) ADRA2AADRA1AMAPTBLMLMNA
SCHEMBL1262969 0.82 CHRM1 (0.42) ADRA2AADRA1AMAPTBLMLMNA
SCHEMBL22042227 0.81 HTT (0.37) ADRA2AADRA1AMAPTBLMLMNA
Aclatonium SCHEMBL10779576 0.80 CHRM1 (0.42) ADRA2AADRA1AMAPTBLMLMNA
SCHEMBL3147865 0.78 KMT2A (0.55) MAPTGAAKMT2AL3MBTL1ACHE
SCHEMBL2303835 0.77 ADRA2A (0.70) ADRA2AADRA1AMAPTBLMLMNA
SCHEMBL2352533 0.77 LMNA (0.42) LMNACYP3A4CYP2D6MAPK1THPO

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6773822-B2 ANTIFUNGAL AGENT MAY BE PRESENT IN THE GYPSUM CORE AND/OR ON ONE OR BOTH OF THE PAPER FACINGS, AND MAY BE ENCAPSULATED IN A MATERIAL THAT RELEASES THE ANTIFUNGAL AGENT OVER TIME AND/OR UPON EXPOSURE TO MOISTURE. TEMPLE-INLAND FOREST PRODUCTS CORPORATION 2004-08-10 US claimed
EP-2905361-B1 METHOD OF FORMING A METAL COATING TOYOTA MOTOR CO LTD (JP) 2022-01-05 EP disclosed
US-9708723-B2 Electroplating cell, and metal coating and method of forming the same TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2017-07-18 US disclosed
EP-2905361-A1 ELECTROPLATING CELL, METAL COATING AND METHOD OF FORMING THE SAME Toyota Jidosha Kabushiki Kaisha (JP) 2015-08-12 EP disclosed
US-20150218723-A1 ELECTROPLATING CELL, AND METAL COATING AND METHOD OF FORMING THE SAME TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2015-08-06 US disclosed
US-8653156-B2 Composite material having the appearance of natural stone Consentino, S.A. (ES) 2014-02-18 US disclosed
US-8007921-B2 Gypsum board containing antimicrobial and antibacterial compounds QUICK-MED TECHNOLOGIES, INC. (US) 2011-08-30 US disclosed
US-20100311865-A1 Gypsum Board Containing Antimicrobial And Antibacterial Compounds QUICK-MED TECHNOLOGIES, INC. (US) 2010-12-09 US disclosed
US-20090104144-A1 Gypsum board with a fluorine-containing antifungal agent QUICK-MED TECHNOLOGIES, INC. (US) 2009-04-23 US disclosed
EP-1648673-A4 COMPOSITE MATERIAL HAVING THE APPEARANCE OF NATURAL STONE COSENTINO SA (ES) 2009-01-21 EP disclosed
EP-1648673-A1 COMPOSITE MATERIAL HAVING THE APPEARANCE OF NATURAL STONE COSENTINO, S.A. (ES) 2006-04-26 EP disclosed
WO-2005049293-A2 CEMENTITIOUS SLAB PRODUCTS HAVING ANTIMICROBIAL PROPERTIES MICROBAN PRODUCTS COMPANY (US) 2005-06-02 WO disclosed
US-20050106336-A1 Cementitious slab products having antimicrobial properties MICROBAN PRODUCTS COMPANY (US) 2005-05-19 US disclosed
WO-2005014256-A1 COMPOSITE MATERIAL HAVING THE APPEARANCE OF NATURAL STONE COSENTINO, S.A. (ES) 2005-02-17 WO disclosed
US-6773822-B2 ANTIFUNGAL AGENT MAY BE PRESENT IN THE GYPSUM CORE AND/OR ON ONE OR BOTH OF THE PAPER FACINGS, AND MAY BE ENCAPSULATED IN A MATERIAL THAT RELEASES THE ANTIFUNGAL AGENT OVER TIME AND/OR UPON EXPOSURE TO MOISTURE. TEMPLE-INLAND FOREST PRODUCTS CORPORATION 2004-08-10 US disclosed
EP-1421242-A1 ANTIFUNGAL GYPSUM BOARD Temple-Inland Forest Products Corporation (US) 2004-05-26 EP disclosed
US-6680127-B2 COMPRISING AN ANTIFUNGAL AGENT AND A RETENTION AID, SUCH AS A SURFACTANT, IN ONE OR MORE PAPER FACINGS. TEMPLE-INLAND FOREST PRODUCTS, CORPORATION 2004-01-20 US disclosed
US-20030035981-A1 Antifungal gypsum board TIN INC. D/B/A TEMPLE-INLAND 2003-02-20 US disclosed
WO-2003012218-A1 ANTIFUNGAL GYPSUM BOARD TEMPLE-INLAND FOREST PRODUCTS CORPORATION (US) 2003-02-13 WO disclosed
US-20030031898-A1 Antifungal gypsum board TIN INC. D/B/A TEMPLE-INLAND 2003-02-13 US disclosed