SCHEMBL7783809

SCHEMBL7783809

CCCCCCC(CCCC)Cc1ccccc1CS(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
S1PR2 O95136 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
CSNK1E P49674 1/20 0.38
CA2 P00918 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYSLTR2 Q9NS75 2/20 0.36
CYSLTR1 Q9Y271 2/20 0.36
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC10 Q969S8 1/20 0.36

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
SCHEMBL7783791 0.99 PRSS1 (0.42) PRSS1PRSS2PRSS3S1PR2S1PR1
SCHEMBL7786023 0.90 ALDH1A1 (0.43) PRSS1PRSS2PRSS3S1PR2S1PR1
SCHEMBL7784189 0.83 PRSS1 (0.41) PRSS1PRSS2PRSS3S1PR2S1PR1
SCHEMBL28066993 0.81 PRSS1 (0.42) PRSS1PRSS2PRSS3S1PR2S1PR1
SCHEMBL7779144 0.81 PRSS1 (0.42) PRSS1PRSS2PRSS3S1PR2S1PR1
SCHEMBL6896599 0.81 CA2 (0.33) PRSS1PRSS2PRSS3S1PR2S1PR1
SCHEMBL7787182 0.81 PRSS1 (0.36) PRSS1PRSS2PRSS3S1PR2S1PR1
SCHEMBL27985286 0.80 TSHR (0.44) PRSS1PRSS2PRSS3CSNK1EALDH1A1
SCHEMBL11665733 0.80 TSHR (0.44) PRSS1PRSS2PRSS3CSNK1EALDH1A1
SCHEMBL7784184 0.80 CYSLTR2 (0.40) 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