SCHEMBL4821452

SCHEMBL4821452

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA5A P35218 2/20 0.39
CA9 Q16790 2/20 0.39
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
TSHR P16473 1/20 0.35
KIF11 P52732 3/20 0.35
F2 P00734 3/20 0.34
PRSS1 P07477 3/20 0.34
PRSS2 P07478 3/20 0.34
PRSS3 P35030 3/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CA12 O43570 1/20 0.32
CA3 P07451 1/20 0.32
CA6 P23280 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
SCHEMBL4814830 0.89 ALDH1A1 (0.39) CA1CA2CA9ALDH1A1LMNA
SCHEMBL4818943 0.86 KMT2A (0.39) ALDH1A1NPC1MAPTRAB9ATSHR
SCHEMBL7596921 0.69 TSHR (0.48) CA1CA2CA5ACA9ALDH1A1
SCHEMBL11576988 0.67 CA1 (0.48) CA1CA2CA5ACA9ALDH1A1
SCHEMBL11808210 0.67 CA1 (0.47) CA1CA2CA5ACA9ALDH1A1
P-Xylene SCHEMBL2524457 0.66 TDP1 (0.63) ALDH1A1LMNANPC1MAPTRAB9A
P-Xylene SCHEMBL15875989 0.66 TDP1 (0.63) ALDH1A1LMNANPC1MAPTRAB9A
SCHEMBL7873851 0.65 MAPT (0.65) CA1CA2CA5ACA9ALDH1A1
SCHEMBL29096761 0.65 TSHR (0.48) CA1CA2CA5ACA9ALDH1A1
SCHEMBL9399853 0.65 TDP1 (0.36)

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