SCHEMBL7779123

SCHEMBL7779123

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.36
ALDH1A1 P00352 3/20 0.33
CA2 P00918 1/20 0.32
MYC P01106 1/20 0.32
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PTGS1 P23219 2/20 0.31
PTGS2 P35354 2/20 0.31
FABP3 P05413 1/20 0.31
FABP4 P15090 1/20 0.31
FABP5 Q01469 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CYP1A2 P05177 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
ATP2A2 P16615 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ATP2A3 Q93084 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
SCHEMBL2414748 0.88 NR1I2 (0.33) NR1I2ALDH1A1CA2MYCTSHR
SCHEMBL7779149 0.85 NR1I2 (0.40) NR1I2ALDH1A1CA2MYCTSHR
SCHEMBL5175740 0.82 CA2 (0.45) ALDH1A1CA2MYCTSHRTDP1
SCHEMBL31359152 0.80 CA2 (0.43) NR1I2ALDH1A1CA2TSHRTDP1
SCHEMBL8660819 0.80
SCHEMBL12919693 0.78 CA2 (0.34) NR1I2ALDH1A1CA2MYCTSHR
SCHEMBL15955756 0.77 NR1I2 (0.44) NR1I2ALDH1A1CA2TSHRTDP1
SCHEMBL29996901 0.76 CYP2D6 (0.47) NR1I2ALDH1A1CYP1A2ALOX15
SCHEMBL4000559 0.76 CYP2D6 (0.47) NR1I2ALDH1A1CYP1A2ALOX15
SCHEMBL2742119 0.76 CA2 (0.52) NR1I2ALDH1A1CA2TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2969201-B1 NON-PHTHALATE COMPOUNDS AS ELECTRON DONORS FOR POLYOLEFIN CATALYSTS FORMOSA PLASTICS CORP USA (US) 2022-05-04 EP disclosed
US-9790291-B2 Non-phthalate compounds as electron donors for polyolefin catalysts FORMOSA PLASTICS CORPORATION, USA (US) 2017-10-17 US disclosed
US-20140275456-A1 NON-PHTHALATE COMPOUNDS AS ELECTRON DONORS FOR POLYOLEFIN CATALYSTS FORMOSA PLASTICS CORPORATION, USA (US) 2014-09-18 US disclosed
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