SCHEMBL5670939

SCHEMBL5670939

CCCCCCCCCCCCCCCCN1CCOCC1.COS(=O)(=O)O

nearest known ligand 0.49

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 20)

geneUniProtsupporting neighboursconfidence
CHRM1 known ✓ P11229 1/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 2/20 0.48
CYP1A2 P05177 1/20 0.48
CHRM2 P08172 1/20 0.48
HTR2A P28223 1/20 0.48
SCN1A P35498 1/20 0.48
HTR2B P41595 1/20 0.48
KCNH2 Q12809 1/20 0.48
SCN2A Q99250 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
SCN3A Q9NY46 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
LMNA P02545 2/20 0.47
USP2 O75604 1/20 0.47
THRB P10828 10/20 0.45
THRA P10827 2/20 0.45
PAOX Q6QHF9 1/20 0.44
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL11383976 1.00 ALDH1A1 (0.48) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
Sulfuric Acid SCHEMBL11617553 0.90 PAOX (0.49) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
Sulfuric Acid SCHEMBL11617550 0.90 PAOX (0.49) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
Sulfuric Acid SCHEMBL11504491 0.90 PAOX (0.49) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
Sulfuric Acid SCHEMBL11504487 0.90 PAOX (0.49) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
SCHEMBL2298944 0.88 ALDH1A1 (0.46) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
SCHEMBL4594735 0.88 ALDH1A1 (0.46) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
Ammonia Solution, Strong SCHEMBL27742172 0.87 PAOX (0.50) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
SCHEMBL11114215 0.85 ALDH1A1 (0.43) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
SCHEMBL28487024 0.84 HRH3 (0.50) MAPK1CYP1A2HRH3THRBTHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103992429-B A kind of cationic copolymer emulsion for water-borne wood coating and preparation method thereof BEIJING UNIVERSITY OF CHEMICAL TECHNOLOGY (CN) 2016-01-06 CN claimed
CN-103992429-A Cationic copolymer emulsion for waterborne wood coating and preparation method thereof UNIV BEIJING CHEMICAL 2014-08-20 CN claimed
CN-103992429-B A kind of cationic copolymer emulsion for water-borne wood coating and preparation method thereof BEIJING UNIVERSITY OF CHEMICAL TECHNOLOGY (CN) 2016-01-06 CN disclosed
CN-103992429-A Cationic copolymer emulsion for waterborne wood coating and preparation method thereof UNIV BEIJING CHEMICAL 2014-08-20 CN disclosed
US-7038746-B2 Laminated polarizing film SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-05-02 US disclosed
US-20040189907-A1 Laminated polarizing film SUMITOMO CHEMICAL COMPANY, LIMITED 2004-09-30 US disclosed