SCHEMBL6353597

SCHEMBL6353597

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 8/20 0.38
MMP13 P45452 7/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP14 P50281 1/20 0.38
GPR84 Q9NQS5 4/20 0.37
CYP2C19 P33261 1/20 0.33
TRPA1 O75762 1/20 0.33
HPGD P15428 1/20 0.33
PTGER1 P34995 1/20 0.33
PTGFR P43088 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.32
FFAR1 O14842 1/20 0.32

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
SCHEMBL6360896 0.92 MMP12 (0.40) MMP12MMP13MMP2MMP9MMP14
SCHEMBL6350606 0.84 SLC22A6 (0.38) MMP12MMP13MMP2MMP9MMP14
SCHEMBL6353093 0.80 MMP12 (0.38) MMP12MMP13MMP2MMP9MMP14
SCHEMBL11367580 0.76 HPGD (0.44) CYP2C19HPGDFFAR1
SCHEMBL6351294 0.75 CYP2C19 (0.33) MMP12MMP13MMP2MMP9MMP14
SCHEMBL6353422 0.75 MMP12 (0.36) MMP12MMP13MMP2MMP9MMP14
SCHEMBL5180169 0.74 NPC1 (0.48) MMP12MMP13MMP2MMP9MMP14
SCHEMBL5725708 0.72 NPC1 (0.50) MMP12MMP13MMP2MMP9MMP14
SCHEMBL11369196 0.72 DAO (0.41) CYP2C19HPGDFFAR1
SCHEMBL11668893 0.72 DAO (0.41) CYP2C19HPGDFFAR1

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