SCHEMBL7779125

SCHEMBL7779125

CC(C)(C)c1cc(S(=O)(=O)O)ccc1S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
HSD17B10 Q99714 4/20 0.41
CASP6 P55212 3/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 3/20 0.39
NT5E P21589 2/20 0.39
TDP1 Q9NUW8 3/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
SNCA P37840 2/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.36
THRB P10828 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
SCHEMBL25386985 0.86 ALDH1A1 (0.42) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL4279667 0.82 LMNA (0.42) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL12212829 0.82 ALDH1A1 (0.53) ALDH1A1HSD17B10CASP6CYP2C9LMNA
SCHEMBL20243826 0.79 CASP6 (0.50) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL12406442 0.79 KIF11 (0.41) ALDH1A1HSD17B10LMNATSHRNT5E
SCHEMBL14883123 0.78 ALDH1A1 (0.41) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL2747697 0.78 PTGS1 (0.42) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL12406437 0.77 SMN1; SMN2 (0.41) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL12406426 0.77 KIF11 (0.42) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL12406470 0.77 ALDH1A1 (0.39) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19

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