SCHEMBL7517752

SCHEMBL7517752

O=C(O)c1cccc2c(S(=O)(=O)O)cccc12.[NaH]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.55
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
CYP1A2 P05177 2/20 0.49
EDNRA P25101 1/20 0.47
FABP3 P05413 1/20 0.46
FABP4 P15090 1/20 0.46
FABP5 Q01469 1/20 0.46
CYP2D6 P10635 1/20 0.45
ALOX15 P16050 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
PTPN1 P18031 1/20 0.43
APEX1 P27695 1/20 0.43

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
SCHEMBL29472291 0.87 CYP2D6 (0.50) TTRNR4A1NR4A2NR4A3CYP1A2
SCHEMBL7190686 0.87 CYP2D6 (0.50) TTRNR4A1NR4A2NR4A3CYP1A2
SCHEMBL127423 0.84 TTR (0.72) TTRCYP1A2ALOX15CA1CA2
SCHEMBL1121128 0.84 TTR (0.72) TTRCYP1A2ALOX15CA1CA2
SCHEMBL28290095 0.84 TTR (0.72) TTRCYP1A2ALOX15CA1CA2
SCHEMBL3417435 0.82 PTPN1 (0.53) TTRNR4A1NR4A2NR4A3CYP1A2
SCHEMBL7517756 0.82 AURKA (0.49) TTRNR4A1NR4A2NR4A3CYP1A2
Oxalic Acid SCHEMBL25199732 0.82 TTR (0.64) TTRCYP1A2FABP4CYP2D6ALOX15
Water SCHEMBL26654218 0.82 TTR (0.69) TTRCYP1A2ALOX15CA1CA2
Water SCHEMBL3919443 0.82 TTR (0.69) TTRCYP1A2ALOX15CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020012978-A1 Microbial transformation process for hydroxyaromatic compounds NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2002-01-31 US claimed
EP-1170375-A2 Microbial transformation process for hydroxyaromatic compounds NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2002-01-09 EP claimed
US-4622381-A BLOCKING BY ALKALI SULFONATE COMPOUNDS TEIJIN LIMITED (JP) 1986-11-11 US claimed
EP-0177014-A2 Modified polyester fiber and process for preparation thereof TEIJIN LIMITED (JP) 1986-04-09 EP claimed
US-20020012978-A1 Microbial transformation process for hydroxyaromatic compounds NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2002-01-31 US disclosed
EP-1170375-A2 Microbial transformation process for hydroxyaromatic compounds NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2002-01-09 EP disclosed
US-4622381-A BLOCKING BY ALKALI SULFONATE COMPOUNDS TEIJIN LIMITED (JP) 1986-11-11 US disclosed
EP-0177014-A2 Modified polyester fiber and process for preparation thereof TEIJIN LIMITED (JP) 1986-04-09 EP disclosed