SCHEMBL4819684

SCHEMBL4819684

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 1/20 0.36
KMT2A Q03164 1/20 0.36
ACACB O00763 1/20 0.35
GAA P10253 2/20 0.34
MAPK1 P28482 1/20 0.34
EPHX1 P07099 1/20 0.34
PARP10 Q53GL7 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
CA12 O43570 1/20 0.34
CA7 P43166 1/20 0.34
IDO1 P14902 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL4809962 0.85 TP53 (0.42) ALDH1A1CA1CA2ACACBEPHX1
SCHEMBL4816907 0.85 SLC6A4 (0.41) ALDH1A1CA1CA2CA9KMT2A
SCHEMBL4576184 0.84 EPHX1 (0.44) ALDH1A1EPHX1CYP1A2
SCHEMBL1472171 0.71 TDP1 (0.33) TDP1
SCHEMBL177995 0.70 HDAC1 (0.37) TDP1CA1CA2CA12CA7
SCHEMBL177826 0.70 TDP1 (0.32) TDP1
SCHEMBL2784998 0.68 HDAC1 (0.35) TDP1CA1CA2CA7
SCHEMBL8013136 0.67 ALOX5 (0.43) ALDH1A1TDP1
SCHEMBL9201869 0.66 SLC7A5 (0.48) TDP1ACACBEPHX1PARP10IDO1
SCHEMBL12118748 0.66 EPHX1 (0.50) ACACBGAAMAPK1EPHX1PARP10

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