SCHEMBL7779122

SCHEMBL7779122

CCCCCCCC(CCCCC)Cc1cc2ccccc2c(S(=O)(=O)O)c1S(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
SLC2A1 P11166 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
CSNK1E P49674 1/20 0.33
TACR3 P29371 2/20 0.33
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC4 P56524 1/20 0.33

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
SCHEMBL7787165 0.99 CYP2D6 (0.38) CYP2D6MAPTKDM4EKMT2AL3MBTL1
SCHEMBL7779278 0.90 CYP2D6 (0.39) CYP2D6MAPTKDM4EL3MBTL1PRSS1
SCHEMBL7779090 0.86 SLC2A1 (0.44) CYP2D6KDM4EKMT2AL3MBTL1PRSS1
SCHEMBL7786126 0.86 PRSS1 (0.39) CYP2D6MAPTKDM4EKMT2AL3MBTL1
SCHEMBL7779116 0.85 SLC2A1 (0.43) CYP2D6KDM4EKMT2AL3MBTL1PRSS1
SCHEMBL2049326 0.83 MAPT (0.47) CYP2D6MAPTKDM4EKMT2ASLC2A1
SCHEMBL2522851 0.83 MAPT (0.47) CYP2D6MAPTKDM4EKMT2ASLC2A1
SCHEMBL7787213 0.83 MAPT (0.47) CYP2D6MAPTKDM4EKMT2ASLC2A1
SCHEMBL7784219 0.83 MAPT (0.47) CYP2D6MAPTKDM4EKMT2ASLC2A1
SCHEMBL2522842 0.83 MAPT (0.47) CYP2D6MAPTKDM4EKMT2ASLC2A1

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