SCHEMBL6353422

SCHEMBL6353422

O=C(O)CC(O)CCC(Cl)(Cl)[S+]([O-])c1cccs1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 8/20 0.36
MMP13 P45452 7/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP14 P50281 1/20 0.36
POLB P06746 2/20 0.32
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
FFAR1 O14842 1/20 0.30
SLC22A6 Q4U2R8 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TRPM8 Q7Z2W7 1/20 0.30
ERCC5 P28715 1/20 0.30
FEN1 P39748 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
SCHEMBL6354046 0.87 POLB (0.33) MMP12MMP13MMP2MMP9MMP14
SCHEMBL6353093 0.82 MMP12 (0.38) MMP12MMP13MMP2MMP9MMP14
SCHEMBL6350590 0.79 POLB (0.35) POLBCYP2C19TDP1FFAR1NPC1
SCHEMBL6360896 0.77 MMP12 (0.40) MMP12MMP13MMP2MMP9MMP14
SCHEMBL6350606 0.75 SLC22A6 (0.38) MMP12MMP13MMP2MMP9MMP14
SCHEMBL6353597 0.75 MMP12 (0.38) MMP12MMP13MMP2MMP9MMP14
SCHEMBL6351294 0.75 CYP2C19 (0.33) MMP12MMP13MMP2MMP9MMP14
SCHEMBL6354628 0.72 MMP13 (0.39) MMP12MMP13MMP2MMP9MMP14
SCHEMBL6351338 0.69 FFAR1 (0.36) POLBCYP2C19TDP1FFAR1NPC1
SCHEMBL5685788 0.68 MMP12 (0.39) MMP12MMP13MMP2MMP9MMP14

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