SCHEMBL7779149

SCHEMBL7779149

CC(C)(C)c1ccc(S(=O)(=O)O)c(S(=O)(=O)O)c1S(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.40
ALDH1A1 P00352 4/20 0.33
CA2 P00918 1/20 0.33
MYC P01106 1/20 0.32
TSHR P16473 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
FABP3 P05413 1/20 0.31
FABP4 P15090 1/20 0.31
FABP5 Q01469 1/20 0.31
ALOX15 P16050 2/20 0.31
KDM4E B2RXH2 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
ATP2A2 P16615 1/20 0.31
ATP2A3 Q93084 1/20 0.31
TTR P02766 1/20 0.31
LMNA P02545 2/20 0.30
HSD17B10 Q99714 2/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL7779123 0.85 NR1I2 (0.36) NR1I2ALDH1A1CA2MYCTSHR
SCHEMBL15955756 0.83 NR1I2 (0.44) NR1I2ALDH1A1CA2TSHRTDP1
SCHEMBL2742119 0.82 CA2 (0.52) NR1I2ALDH1A1CA2TSHRTDP1
SCHEMBL7779124 0.81 CA2 (0.46) NR1I2ALDH1A1CA2MYCTSHR
SCHEMBL10921837 0.81 TSHR (0.41) ALDH1A1MYCTSHRTDP1FABP3
SCHEMBL12919693 0.80 CA2 (0.34) NR1I2ALDH1A1CA2MYCTSHR
SCHEMBL19193494 0.78 ALDH1A1 (0.41) NR1I2ALDH1A1CA2TSHRTDP1
SCHEMBL2414748 0.77 NR1I2 (0.33) NR1I2ALDH1A1CA2MYCTSHR
SCHEMBL19193403 0.77 CA2 (0.46) NR1I2ALDH1A1CA2TSHRTDP1
SCHEMBL7298708 0.76 TTR (0.50) NR1I2CA2MYCCYP1A2TTR

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