SCHEMBL7787208

SCHEMBL7787208

CCCCCCCCCCCCCCc1cc(S(=O)(=O)O)ccc1S(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.47
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
HTT P42858 5/20 0.43
KDM4E B2RXH2 4/20 0.43
ATM Q13315 4/20 0.43
ALDH1A1 P00352 4/20 0.43
GAA P10253 3/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 2/20 0.43
LIPG Q9Y5X9 1/20 0.42
CA2 P00918 3/20 0.41
MAPT P10636 2/20 0.41
TSHR P16473 2/20 0.41
TYR P14679 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX5 P09917 1/20 0.41
ALOX15 P16050 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL7779141 1.00 S1PR3 (0.47) S1PR3MEN1KMT2AHTTKDM4E
SCHEMBL7779134 1.00 S1PR3 (0.47) S1PR3MEN1KMT2AHTTKDM4E
SCHEMBL7783844 1.00 S1PR3 (0.47) S1PR3MEN1KMT2AHTTKDM4E
SCHEMBL7787174 1.00 S1PR3 (0.47) S1PR3MEN1KMT2AHTTKDM4E
SCHEMBL8954900 1.00 S1PR3 (0.47) S1PR3MEN1KMT2AHTTKDM4E
SCHEMBL7787192 1.00 S1PR3 (0.47) S1PR3MEN1KMT2AHTTKDM4E
SCHEMBL339909 1.00 S1PR3 (0.47) S1PR3MEN1KMT2AHTTKDM4E
SCHEMBL16563961 1.00 S1PR3 (0.47) S1PR3MEN1KMT2AHTTKDM4E
SCHEMBL16563106 0.98 S1PR3 (0.45) S1PR3MEN1KMT2AHTTKDM4E
SCHEMBL2527950 0.94 S1PR3 (0.43) S1PR3MEN1KMT2AHTTKDM4E

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