SCHEMBL7786126

SCHEMBL7786126

CCCCCCC(CC)Cc1cc2ccccc2c(S(=O)(=O)O)c1CC(CC)CCCCCC

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.34
KDM4E B2RXH2 2/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC2A1 P11166 1/20 0.34
GPR84 Q9NQS5 1/20 0.33
TACR3 P29371 2/20 0.33
CA2 P00918 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
NR3C2 P08235 1/20 0.32

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
SCHEMBL5176349 0.95 CYP2D6 (0.37) PRSS1PRSS2PRSS3CYP2D6MAPT
SCHEMBL7779122 0.86 CYP2D6 (0.39) PRSS1PRSS2PRSS3CYP2D6MAPT
SCHEMBL7779278 0.86 CYP2D6 (0.39) PRSS1PRSS2PRSS3CYP2D6MAPT
SCHEMBL7787165 0.85 CYP2D6 (0.38) PRSS1PRSS2PRSS3CYP2D6MAPT
SCHEMBL7779090 0.80 SLC2A1 (0.44) PRSS1PRSS2PRSS3CYP2D6KDM4E
SCHEMBL7787184 0.80 SLC2A1 (0.41) PRSS1PRSS2PRSS3CYP2D6KDM4E
SCHEMBL7779116 0.79 SLC2A1 (0.43) PRSS1PRSS2PRSS3CYP2D6KDM4E
SCHEMBL28098905 0.79 MAPT (0.44) CYP2D6MAPTKDM4EKMT2AL3MBTL1
SCHEMBL5174961 0.78 SLC2A1 (0.39) PRSS1PRSS2PRSS3CYP2D6KDM4E
SCHEMBL159780 0.77 MAPT (0.45) CYP2D6MAPTKDM4ESLC2A1GPR84

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