SCHEMBL3279249

SCHEMBL3279249

C=CC(=O)NS(=O)(=O)CC(C)C

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TGM2 P21980 4/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.32
ZDHHC2 Q9UIJ5 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
SCHEMBL9742361 0.86 TSHR (0.33) TSHR
SCHEMBL9741021 0.86 NPSR1 (0.34) TSHRALDH1A1MAPK1TDP1TGM2
SCHEMBL27737214 0.81 TSHR (0.41) TSHRALDH1A1MAPK1TDP1TGM2
SCHEMBL7693137 0.79 TSHR (0.42) TSHRALDH1A1MAPK1TDP1TGM2
SCHEMBL13155208 0.74 ALDH1A1 (0.35) TSHRALDH1A1TDP1
SCHEMBL9741931 0.73 ZDHHC20 (0.41) TSHRALDH1A1MAPK1TDP1TGM2
SCHEMBL185807 0.73 TSHR (0.41) TSHRALDH1A1MAPK1TDP1TGM2
SCHEMBL8909752 0.72 ALDH1A1 (0.39) ALDH1A1
SCHEMBL2155070 0.72 TSHR (0.41) TSHRALDH1A1MAPK1TDP1TGM2
SCHEMBL22503155 0.72 TSHR (0.37) TSHRALDH1A1MAPK1TDP1TGM2

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
EP-1767555-B1 Novel polymer and cement admixture using the same NIPPON CATALYTIC CHEM IND (JP) 2016-06-29 EP disclosed
US-7691921-B2 Cement admixture and method for producing the same NIPPON SHOKUBAI CO., LTD. (JP) 2010-04-06 US disclosed
EP-1690877-B1 Cement admixture and method for producing the same NIPPON CATALYTIC CHEM IND (JP) 2008-07-23 EP disclosed
US-20060183820-A1 Cement admixture and method for producing the same NIPPON SHOKUBAI CO., LTD. 2006-08-17 US disclosed
EP-1690877-A1 Cement admixture and method for producing the same Nippon Shokubai Co.,Ltd. (JP) 2006-08-16 EP disclosed