SCHEMBL6360896

SCHEMBL6360896

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 8/20 0.40
MMP13 P45452 7/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP14 P50281 1/20 0.40
CYP2C19 P33261 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.34
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ERCC5 P28715 1/20 0.33
FEN1 P39748 1/20 0.33
FFAR1 O14842 1/20 0.33
POLB P06746 1/20 0.33
GPR84 Q9NQS5 4/20 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
SCHEMBL6353597 0.92 MMP12 (0.38) MMP12MMP13MMP2MMP9MMP14
SCHEMBL6350606 0.86 SLC22A6 (0.38) MMP12MMP13MMP2MMP9MMP14
SCHEMBL6353093 0.79 MMP12 (0.38) MMP12MMP13MMP2MMP9MMP14
SCHEMBL4407017 0.78 MMP12 (0.47) MMP12MMP13MMP2MMP9MMP14
SCHEMBL11367580 0.78 HPGD (0.44) CYP2C19NPC1ALDH1A1HPGDRAB9A
SCHEMBL6351294 0.77 CYP2C19 (0.33) MMP12MMP13MMP2MMP9MMP14
SCHEMBL6353422 0.77 MMP12 (0.36) MMP12MMP13MMP2MMP9MMP14
SCHEMBL11369196 0.74 DAO (0.41) CYP2C19NPC1ALDH1A1HPGDRAB9A
SCHEMBL11668893 0.74 DAO (0.41) CYP2C19NPC1ALDH1A1HPGDRAB9A
SCHEMBL6354046 0.73 POLB (0.33) 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