SCHEMBL313853

SCHEMBL313853

C=C(C)c1ccc(S(=O)(=O)O)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.44
EDNRA P25101 1/20 0.42
CYP1A2 P05177 3/20 0.42
CTRB1 P17538 1/20 0.41
COMT P21964 1/20 0.39
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
LDHA P00338 1/20 0.38
TNNI3 P19429 1/20 0.38
TNNT2 P45379 1/20 0.38
TNNC1 P63316 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
MPL P40238 5/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SUMO2 P61956 2/20 0.36
SUMO1 P63165 2/20 0.36
SENP7 Q9BQF6 2/20 0.36

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
SCHEMBL4349196 0.84 TTR (0.46) TTRCYP1A2CTRB1COMTAURKA
SCHEMBL29409575 0.80 TTR (0.61) TTRCYP1A2CTRB1COMTAURKA
SCHEMBL21955458 0.80 L3MBTL1 (0.36) EDNRACYP1A2ALDH1A1
SCHEMBL703189 0.80 TTR (0.61) TTRCYP1A2CTRB1COMTAURKA
SCHEMBL7710380 0.78 TTR (0.59) TTRCYP1A2CTRB1COMTAURKA
Hydrochloric Acid SCHEMBL11157253 0.78 TTR (0.59) TTRCYP1A2CTRB1COMTAURKA
SCHEMBL29472291 0.78 CYP2D6 (0.50) TTRCYP1A2CTRB1COMTAURKA
SCHEMBL7190686 0.78 CYP2D6 (0.50) TTRCYP1A2CTRB1COMTAURKA
SCHEMBL154693 0.77 MYC (0.43) TTREDNRACYP1A2MYC
Ammonia Solution, Strong SCHEMBL18140064 0.76 MYC (0.42) TTREDNRACYP1A2MYC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093342-B2 Polymer, charge control agent, and toner for developing electrostatic latent images CANON KABUSHIKI KAISHA (JP) 2012-01-10 US disclosed
US-20100291482-A1 NOVEL POLYMER, CHARGE CONTROL AGENT, AND TONER FOR DEVELOPING ELECTROSTATIC LATENT IMAGES CANON KABUSHIKI KAISHA (JP) 2010-11-18 US disclosed
US-20070117945-A1 NOVEL POLYMER, CHARGE CONTROL AGENT, AND TONER FOR DEVELOPING ELECTROSTATIC LATENT IMAGES CANON KABUSHIKI KAISHA (JP) 2007-05-24 US disclosed