SCHEMBL6354628

SCHEMBL6354628

O=C(O)CC(O)CCC(Cl)(Cl)S(=O)(=O)c1cccs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.39
MMP9 P14780 2/20 0.39
MMP1 P03956 1/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
MMP12 P39900 2/20 0.36
MMP2 P08253 1/20 0.36
MMP14 P50281 1/20 0.36
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
ALDH1A1 P00352 4/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
POLB P06746 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP3A4 P08684 1/20 0.34
TP53 P04637 3/20 0.34

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
SCHEMBL6360010 0.87 MMP1 (0.41) MMP13MMP9MMP1PKMTSHR
SCHEMBL6351035 0.79 PKM (0.40) MMP13MMP9MMP1PKMTSHR
SCHEMBL6348848 0.79 MMP1 (0.42) MMP13MMP9MMP1PKMTSHR
SCHEMBL6359159 0.77 RAB9A (0.47) MMP13MMP9PKMTSHRMMP12
SCHEMBL6351605 0.75 RAB9A (0.45) MMP13MMP9PKMTSHRMMP12
SCHEMBL6354324 0.74 TSHR (0.44) MMP13MMP9MMP1PKMTSHR
SCHEMBL6353062 0.73 PKM (0.42) PKMTSHRSLC1A3SLC1A2SLC1A1
SCHEMBL6353422 0.72 MMP12 (0.36) MMP13MMP9MMP12MMP2MMP14
SCHEMBL6355816 0.69 PKM (0.43) MMP13MMP9MMP1PKMTSHR
SCHEMBL3861759 0.67 MMP12 (0.51) MMP13MMP9MMP12MMP2MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6855472-B2 POLYHYDROXYALKANOATE, PRODUCING METHOD THEREFOR, CHARGE CONTROL AGENT CONTAINING SUCH POLYHYDROXYALKANOATE, TONER CONTAINING SUCH CONTROL AGENT AND IMAGE FORMING METHOD AND IMAGE FORMING APPARATUS UTILIZING SUCH TONER CANON KABUSHIKI KAISHA (JP) 2005-02-15 US disclosed
EP-1254918-B1 Novel polyhydroxyalkanoate, producing method therefor, charge control agent containing such polyhydroxyalkanoate, toner containing such charge control agent and image forming method and image forming apparatus utilizing such toner CANON KK (JP) 2004-03-31 EP disclosed
US-20030073804-A1 Polyhydroxyalkanoate, producing method therefor charge control agent containing such polyhydroxyalkanoate, toner containing such charge control agent and image forming method and image forming apparatus utilizing such toner CANON KABUSHIKI KAISHA (JP) 2003-04-17 US disclosed
EP-1254918-A2 Novel polyhydroxyalkanoate, producing method therefor, charge control agent containing such polyhydroxyalkanoate, toner containing such charge control agent and image forming method and image forming apparatus utilizing such toner CANON KABUSHIKI KAISHA (JP) 2002-11-06 EP disclosed