SCHEMBL6296808

SCHEMBL6296808

O=C(O)c1ccc(S(=O)(=O)O)c(O)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
HSD17B10 Q99714 5/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP2D6 P10635 1/20 0.42
SELL P14151 1/20 0.41
SELP P16109 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
CYP1A2 P05177 2/20 0.38
MPL P40238 1/20 0.37
CYP2C9 P11712 2/20 0.37
MCL1 Q07820 2/20 0.37
TSHR P16473 2/20 0.36
HIF1A Q16665 1/20 0.36
PHLPP2 Q6ZVD8 1/20 0.36
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA12 O43570 2/20 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
SCHEMBL8606449 0.84 HSD17B10 (0.42) ALDH1A1HSD17B10CASP1CASP7TDP1
SCHEMBL6292102 0.84 SELL (0.54) ALDH1A1HSD17B10CASP1CASP7TDP1
SCHEMBL30705724 0.84 HSD17B10 (0.42) ALDH1A1HSD17B10CASP1CASP7TDP1
SCHEMBL6695939 0.82 CYP2D6 (0.44) ALDH1A1HSD17B10CASP1CASP7TDP1
SCHEMBL27485805 0.82 SELL (0.52) ALDH1A1HSD17B10CASP1CASP7TDP1
SCHEMBL27653670 0.82 SELL (0.52) ALDH1A1HSD17B10CASP1CASP7TDP1
Potassium Ion SCHEMBL31385251 0.81 SELL (0.38) ALDH1A1HSD17B10CASP1CASP7TDP1
Water SCHEMBL27471406 0.81 SELL (0.50) ALDH1A1HSD17B10CASP1CASP7TDP1
SCHEMBL11692500 0.79 CYP3A4 (0.42) ALDH1A1HSD17B10CASP1CASP7TDP1
SCHEMBL6064530 0.78 CYP2D6 (0.56) ALDH1A1HSD17B10CASP1CASP7TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6977129-B2 Charge control agent, toner using same developer containing the toner and developing device containing the developer RICOH COMPANY, LTD. (JP) 2005-12-20 US disclosed
US-20030162018-A1 Charge control agent, toner using same developer containing the toner and developing device containing the developer TAKEMOTO YUSHI KABUSHIKI KAISHA (JP) 2003-08-28 US disclosed