SCHEMBL7784209

SCHEMBL7784209

CCCCCCCC(CCCCC)Cc1c(S(=O)(=O)O)c(S(=O)(=O)O)c(S(=O)(=O)O)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
CSNK1E P49674 1/20 0.35
HDAC3 O15379 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
KDM4E B2RXH2 2/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TP53 P04637 1/20 0.33
LMNA P02545 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
SCHEMBL7787209 0.99 PRSS1 (0.38) PRSS1PRSS2PRSS3CSNK1EHDAC3
SCHEMBL7779131 0.90 ALDH1A1 (0.40) PRSS1PRSS2PRSS3HDAC3HDAC1
SCHEMBL7783789 0.82 KDM4E (0.45) KDM4ESLC2A1ALDH1A1S1PR2S1PR1
SCHEMBL7783787 0.82 KDM4E (0.45) KDM4ESLC2A1ALDH1A1S1PR2S1PR1
SCHEMBL7787221 0.82 KDM4E (0.45) KDM4ESLC2A1ALDH1A1S1PR2S1PR1
SCHEMBL7786026 0.82 KDM4E (0.45) KDM4ESLC2A1ALDH1A1S1PR2S1PR1
SCHEMBL7784211 0.82 KDM4E (0.45) KDM4ESLC2A1ALDH1A1S1PR2S1PR1
SCHEMBL7786013 0.82 KDM4E (0.45) KDM4ESLC2A1ALDH1A1S1PR2S1PR1
SCHEMBL7783802 0.82 KDM4E (0.45) KDM4ESLC2A1ALDH1A1S1PR2S1PR1
SCHEMBL1938340 0.79 KDM4E (0.45) KDM4ESLC2A1ALDH1A1HPGDHSD17B10

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