SCHEMBL7783772

SCHEMBL7783772

CC(C)(C)c1c(S(=O)(=O)O)c(S(=O)(=O)O)c(S(=O)(=O)O)c2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TTR P02766 1/20 0.34
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MYC P01106 1/20 0.33
MPL P40238 2/20 0.32
LDHA P00338 1/20 0.32
SENP2 Q9HC62 3/20 0.31
SENP1 Q9P0U3 3/20 0.31
SUMO2 P61956 2/20 0.31
SUMO1 P63165 2/20 0.31
SENP7 Q9BQF6 2/20 0.31
SENP3 Q9H4L4 2/20 0.31
PSD A5PKW4 1/20 0.31
HSD17B2 P37059 1/20 0.31
CYP1A2 P05177 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
SCHEMBL16553161 0.93 CYP2D6 (0.35) CYP2D6TSHRSMN1; SMN2TTRKDM4E
SCHEMBL29888654 0.93 CYP2D6 (0.35) CYP2D6TSHRSMN1; SMN2TTRKDM4E
SCHEMBL28875258 0.91 CYP2D6 (0.34) CYP2D6TSHRSMN1; SMN2TTRKDM4E
SCHEMBL5272789 0.85 CYP2D6 (0.35) CYP2D6TSHRSMN1; SMN2TTRKDM4E
SCHEMBL28576715 0.84 CYP2D6 (0.34) CYP2D6TSHRSMN1; SMN2TTRKDM4E
SCHEMBL4878318 0.84 TSHR (0.38) CYP2D6TSHRSMN1; SMN2TTRKDM4E
SCHEMBL2524546 0.82 TSHR (0.48) CYP2D6TSHRSMN1; SMN2TTRKDM4E
Hydrochloric Acid SCHEMBL11755878 0.80 TSHR (0.46) CYP2D6TSHRSMN1; SMN2TTRKDM4E
SCHEMBL12482334 0.75 CYP2D6 (0.43) CYP2D6TTRTDP1MPLSENP2
SCHEMBL14879315 0.75 TSHR (0.50) CYP2D6TSHRSMN1; SMN2TTRKDM4E

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