SCHEMBL7779124

SCHEMBL7779124

CC(C)(C)c1cccc(S(=O)(=O)O)c1S(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.46
TTR P02766 2/20 0.41
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
TSHR P16473 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MYC P01106 1/20 0.39
CYP1A2 P05177 1/20 0.38
HSD11B1 P28845 1/20 0.38
ALOX15 P16050 1/20 0.36
NR1I2 O75469 1/20 0.36
RBP4 P02753 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
ALOX12 P18054 1/20 0.34
FABP4 P15090 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
MAPK14 Q16539 1/20 0.34
NR4A1 P22736 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
SCHEMBL2742119 0.94 CA2 (0.52) CA2TTRGABRA1GABRB2TSHR
SCHEMBL5175740 0.86 CA2 (0.45) CA2TTRGABRA1GABRB2TSHR
SCHEMBL4279665 0.84 GABRA1 (0.52) CA2GABRA1GABRB2TSHRALDH1A1
SCHEMBL706621 0.84 TTR (0.43) CA2TTRTSHRALDH1A1TDP1
SCHEMBL664385 0.83 TSHR (0.48) CA2TTRGABRA1GABRB2TSHR
SCHEMBL7298708 0.82 TTR (0.50) CA2TTRMYCCYP1A2NR1I2
SCHEMBL6858500 0.82 CA2 (0.61) CA2TTRGABRA1GABRB2TSHR
Ammonia Solution, Strong SCHEMBL27814408 0.81 TSHR (0.46) CA2TTRGABRA1GABRB2TSHR
SCHEMBL7779149 0.81 NR1I2 (0.40) CA2TTRTSHRALDH1A1TDP1
Hydrochloric Acid SCHEMBL27290976 0.81 TSHR (0.46) CA2TTRGABRA1GABRB2TSHR

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
EP-0803548-B1 Colored thermoplastic resin composition ORIENT CHEMICAL IND (JP) 2001-10-24 EP disclosed
US-5827911-A BLACK DYE IS OBTAINED BY REACTION OF NIGROSINE AND ATLEAST ONE ANIONIC SURFACTANT SELECTED FROM SULFURIC ACID ESTER OR SALTS, PHSOPHORIC ACID ESTER OR SALTS, SULFONIC ACID OR SALTS AND CARBOXYLIC ACID OR SALTS ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-27 US disclosed
EP-0803548-A2 Colored thermoplastic resin composition ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-29 EP disclosed