SCHEMBL4814830

SCHEMBL4814830

C=C(C(N)=O)C(C)(c1ccc(C(C)(C)C)cc1)S(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
KIF11 P52732 1/20 0.39
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA9 Q16790 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TNF P01375 1/20 0.37
KLF5 Q13887 1/20 0.37
NOD1 Q9Y239 1/20 0.37
HDAC1 Q13547 1/20 0.37
SLC22A2 O15244 1/20 0.37
SLC22A1 O15245 1/20 0.37
SLC22A3 O75751 1/20 0.37
SRD5A2 P31213 1/20 0.36
SLC1A2 P43004 1/20 0.35
LMNA P02545 1/20 0.35
TYR P14679 1/20 0.35
CYP1A2 P05177 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
SCHEMBL4821452 0.89 CA1 (0.39) ALDH1A1KIF11CA1CA2CA9
SCHEMBL4818943 0.87 KMT2A (0.39) ALDH1A1MEN1KMT2ACYP1A2NPC1
SCHEMBL2224512 0.69 HDAC1 (0.52) ALDH1A1KIF11MEN1KMT2ATNF
SCHEMBL4809962 0.68 TP53 (0.42) ALDH1A1CA1CA2EPHX2NR1H4
Sulfuric Acid SCHEMBL28754417 0.66 ALDH1A1 (0.58) ALDH1A1CA1CA2CA9MEN1
Sulfuric Acid SCHEMBL28754418 0.66 ALDH1A1 (0.58) ALDH1A1CA1CA2CA9MEN1
SCHEMBL9399853 0.66 TDP1 (0.36)
SCHEMBL31123171 0.65 ALDH1A1 (0.47) ALDH1A1CA1CA2CA9MEN1
Urea SCHEMBL27350114 0.65 LMNA (0.70) ALDH1A1KIF11HDAC1SLC22A2SLC22A1
SCHEMBL11583494 0.65 HDAC1 (0.55) ALDH1A1KIF11MEN1KMT2ATNF

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