SCHEMBL5580596

SCHEMBL5580596

CCCC(=CS(=O)(=O)O)C(N)=O

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
CTSD P07339 1/20 0.32
FFAR3 O14843 3/20 0.32
HDAC3 O15379 3/20 0.32
HDAC1 Q13547 3/20 0.32
HDAC2 Q92769 3/20 0.32
HDAC8 Q9BY41 3/20 0.32
FAAH O00519 3/20 0.32
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
SOAT1 P35610 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL7898544 0.81 HDAC3 (0.39) CES2CES1FFAR3HDAC3HDAC1
SCHEMBL6416113 0.75
SCHEMBL28062287 0.75 ALDH1A1 (0.31) CES2CES1ALDH1A1
SCHEMBL27968416 0.75 CA12 (0.33) CES2CES1HDAC3HDAC1HDAC2
Sulfuric Acid SCHEMBL27573794 0.75 CES2 (0.30) CES2CES1
SCHEMBL1274433 0.73 ALDH1A1 (0.34) ALDH1A1
Ammonia Solution, Strong SCHEMBL28046117 0.73 CES2 (0.39) CES2CES1CTSDFFAR3HDAC3
SCHEMBL28098152 0.73
SCHEMBL7066820 0.73
SCHEMBL11288817 0.71 GRIK1 (0.39) CES2CES1CTSDFFAR3HDAC3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7297202-B2 Dispersible colorant, method of producing same, aqueous ink using same, ink tank, ink jet recording apparatus, ink jet recording method, and ink jet recorded image CANON KABUSHIKI KAISHA (JP) 2007-11-20 US disclosed
US-20060142416-A1 Dispersible colorant and manufacturing method thereof, aqueous ink using the same, ink tank, ink-jet recording apparatus, ink-jet recording method, and ink-jet recording image CANON KABUSHIKI KAISHA (JP) 2006-06-29 US disclosed
US-20060124032-A1 Dispersible colorant, method of producing same, aqueous ink using same, ink tank, ink jet recording apparatus, ink jet recording method, and ink jet recorded image CANON KABUSHIKI KAISHA (JP) 2006-06-15 US disclosed
US-20060009544-A1 Aqueous ink and ink set for ink jet recording CANON KABUSHIKI KAISHA (JP) 2006-01-12 US disclosed
EP-1593715-A1 DISPERSE COLOR MATERIAL AND PROCESS FOR PRODUCING THE SAME, WATER-COLOR INK EMPLOYING IT, INK TANK, INKJET RECORDER, INKJET RECORDING METHOD AND INKJET RECORDED IMAGE Canon Kabushiki Kaisha (JP) 2005-11-09 EP disclosed
US-20050043434-A1 Dispersible color material and process for producing the same, water-color ink employing it, ink tank, inkjet recorder, inkjet recording method and inkjet recorded image CANON KABUSHIKI KAISHA (JP) 2005-02-24 US disclosed
US-20040244622-A1 Dispersible colorant and method for producing the same, and aqueous ink, ink tank, ink jet recorder, ink jet recording method and inkjet recorded image using the same CANON KABUSHIKI KAISHA (JP) 2004-12-09 US disclosed