SCHEMBL4816907

SCHEMBL4816907

C=C(C(N)=O)C(Cc1ccc(Cl)cc1)S(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.41
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
NPC1 O15118 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
CA2 P00918 2/20 0.38
GABBR2 O75899 1/20 0.36
GABBR1 Q9UBS5 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
SCHEMBL4819684 0.85 ALDH1A1 (0.38) CYP2C9ALDH1A1PPARGPPARACA2
SCHEMBL4576184 0.84 EPHX1 (0.44) ALDH1A1HSD17B10
SCHEMBL4809962 0.82 TP53 (0.42) ALDH1A1CA2ACACBCA12CA1
SCHEMBL11302262 0.74 SLC6A4 (0.46) SLC6A4CYP2C9CYP2C19SLC6A2SLC6A3
SCHEMBL11297866 0.70 CYP2C19 (0.42) SLC6A4CYP2C9CYP2C19SLC6A2SLC6A3
SCHEMBL1566803 0.69 FFAR2 (0.39) NPC1CA2GABBR2GABBR1HDAC4
SCHEMBL6077436 0.68 SLC6A4 (0.54) SLC6A4CYP2C9CYP2C19SLC6A2SLC6A3
SCHEMBL1472171 0.68 TDP1 (0.33)
Sulfuric Acid SCHEMBL11130866 0.67 SLC6A2 (0.78) SLC6A4SLC6A2SLC6A3
SCHEMBL1901447 0.66 SLC6A4 (0.52) SLC6A4CYP2C9CYP2C19SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7323282-B2 Dry toner, method for producing dry toner, and method for forming an image CANON KABUSHIKI KAISHA (JP) 2008-01-29 US disclosed
US-20070231729-A1 DRY TONER, METHOD FOR PRODUCING DRY TONER, AND METHOD FOR FORMING AN IMAGE CANON KABUSHIKI KAISHA (JP) 2007-10-04 US disclosed
US-7252917-B2 Dry toner, method for producing dry toner, and method for forming an image CANON KABUSHIKI KAISHA (JP) 2007-08-07 US disclosed
US-20040191661-A1 Dry toner, method for producing dry toner, and method for forming an image CANON KABUSHIKI KAISHA (JP) 2004-09-30 US disclosed