SCHEMBL7787182

SCHEMBL7787182

CCCCCCC(CCCC)Cc1cccc(S(=O)(=O)O)c1S(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
S1PR2 O95136 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
RECQL P46063 1/20 0.35
TP53 P04637 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
BID P55957 3/20 0.33
MCL1 Q07820 3/20 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
SCHEMBL7786031 0.99 PRSS1 (0.37) PRSS1PRSS2PRSS3S1PR2S1PR1
SCHEMBL7783766 0.90 ALDH1A1 (0.39) PRSS1PRSS2PRSS3RECQLTP53
SCHEMBL7784189 0.89 PRSS1 (0.41) PRSS1PRSS2PRSS3S1PR2S1PR1
SCHEMBL5176059 0.88 PRSS1 (0.36) PRSS1PRSS2PRSS3S1PR2S1PR1
SCHEMBL7787259 0.88 LMNA (0.35) PRSS1PRSS2PRSS3S1PR2S1PR1
SCHEMBL7779144 0.87 PRSS1 (0.42) PRSS1PRSS2PRSS3S1PR2S1PR1
SCHEMBL28066993 0.87 PRSS1 (0.42) PRSS1PRSS2PRSS3S1PR2S1PR1
SCHEMBL5177185 0.86 PRSS1 (0.36) PRSS1PRSS2PRSS3S1PR2S1PR1
SCHEMBL7786008 0.86 LMNA (0.36) PRSS1PRSS2PRSS3S1PR2S1PR1
SCHEMBL11577258 0.83 CA12 (0.38) PRSS1PRSS2PRSS3S1PR2S1PR1

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