SCHEMBL7787259

SCHEMBL7787259

CCCCCCC(CCCC)Cc1ccc(S(=O)(=O)O)c(S(=O)(=O)O)c1S(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
CA2 P00918 5/20 0.34
S1PR2 O95136 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
NR1I2 O75469 1/20 0.33
CSNK1E P49674 1/20 0.31
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 0.31
CA1 P00915 2/20 0.31
HDAC3 O15379 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC8 Q9BY41 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
MMP9 P14780 2/20 0.31

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
SCHEMBL7786008 0.99 LMNA (0.36) LMNATP53PRSS1PRSS2PRSS3
SCHEMBL7786245 0.90 ALDH1A1 (0.37) LMNAPRSS1PRSS2PRSS3CA2
SCHEMBL7787197 0.89 TP53 (0.33) LMNATP53PRSS1PRSS2PRSS3
SCHEMBL7783827 0.88 LMNA (0.34) LMNATP53PRSS1PRSS2PRSS3
SCHEMBL7787182 0.88 PRSS1 (0.36) LMNATP53PRSS1PRSS2PRSS3
SCHEMBL7786031 0.86 PRSS1 (0.37) LMNATP53PRSS1PRSS2PRSS3
SCHEMBL7784189 0.82 PRSS1 (0.41) LMNATP53PRSS1PRSS2PRSS3
SCHEMBL7787186 0.81 S1PR3 (0.41) LMNATP53PRSS1PRSS2PRSS3
SCHEMBL7779116 0.81 SLC2A1 (0.43) LMNAPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL7779144 0.80 PRSS1 (0.42) LMNATP53PRSS1PRSS2PRSS3

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