SCHEMBL7779097

SCHEMBL7779097

CCCCCCCc1c(CCC)ccc(S(=O)(=O)O)c1S(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.40
TSHR P16473 2/20 0.37
TP53 P04637 2/20 0.37
CYP3A4 P08684 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALOX5 P09917 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
S1PR2 O95136 2/20 0.36
S1PR1 P21453 2/20 0.36
S1PR3 Q99500 2/20 0.36
GPR35 Q9HC97 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
ESR1 P03372 2/20 0.34
ADRA2A P08913 2/20 0.34
ADORA3 P0DMS8 2/20 0.34
TACR2 P21452 2/20 0.34

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
SCHEMBL7783819 0.95 TYR (0.44) TYRTSHRTP53CYP3A4MEN1
SCHEMBL7787220 0.95 TYR (0.44) TYRTSHRTP53CYP3A4MEN1
SCHEMBL7783801 0.95 TYR (0.44) TYRTSHRTP53CYP3A4MEN1
SCHEMBL7787205 0.95 TYR (0.44) TYRTSHRTP53CYP3A4MEN1
SCHEMBL7505770 0.95 TYR (0.44) TYRTSHRTP53CYP3A4MEN1
SCHEMBL7786243 0.95 TYR (0.44) TYRTSHRTP53CYP3A4MEN1
SCHEMBL7779119 0.95 TYR (0.44) TYRTSHRTP53CYP3A4MEN1
SCHEMBL7779117 0.95 TYR (0.44) TYRTSHRTP53CYP3A4MEN1
SCHEMBL27550479 0.94 TYR (0.43) TYRTSHRTP53CYP3A4MEN1
SCHEMBL151780 0.89 TYR (0.39) TYRTSHRTP53CYP3A4MEN1

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