SCHEMBL6296809

SCHEMBL6296809

O=C(O)c1c(O)ccc(S(=O)(=O)O)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
CA14 Q9ULX7 3/20 0.46
HSD17B10 Q99714 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 2/20 0.43
COMT P21964 1/20 0.40
TNNI3 P19429 1/20 0.38
TNNT2 P45379 1/20 0.38
TNNC1 P63316 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 2/20 0.36
HIF1A Q16665 1/20 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
SCHEMBL6292105 0.86 SELL (0.42) CA12CA1CA2CA7CA9
SCHEMBL1804657 0.82 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL8606449 0.79 HSD17B10 (0.42) CA12CA1CA2CA7CA9
SCHEMBL30705724 0.79 HSD17B10 (0.42) CA12CA1CA2CA7CA9
SCHEMBL29419955 0.79 CA1 (0.68) CA12CA1CA2CA7CA9
SCHEMBL2971000 0.79 CA1 (0.68) CA12CA1CA2CA7CA9
SCHEMBL13182868 0.76 CA1 (0.46) CA12CA1CA2CA7CA9
SCHEMBL28101962 0.73 LDHA (0.46) CA12CA1CA2CA7CA9
SCHEMBL751337 0.73 FOLH1 (0.41) CA1CA2HSD17B10ALDH1A1HPGD
Boric Acid SCHEMBL28482487 0.72 CA1 (0.59) CA12CA1CA2CA7CA9

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