SCHEMBL6351338

SCHEMBL6351338

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.36
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 5/20 0.33
HPGD P15428 3/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ERCC5 P28715 1/20 0.33
FEN1 P39748 1/20 0.33
KMT2A Q03164 5/20 0.33
MEN1 O00255 4/20 0.33
POLB P06746 3/20 0.33
USP2 O75604 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GSK3B P49841 1/20 0.33
DAO P14920 1/20 0.33
CPA1 P15085 2/20 0.32
CPB1 P15086 1/20 0.32
CPA3 P15088 1/20 0.32
CPB2 Q96IY4 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
SCHEMBL6351294 0.80 CYP2C19 (0.33) FFAR1CYP2C19ALDH1A1HPGDNPC1
SCHEMBL6353093 0.79 MMP12 (0.38) FFAR1CYP2C19ALDH1A1HPGDNPC1
SCHEMBL5685812 0.78 CPA1 (0.39) FFAR1CYP2C19ALDH1A1POLBUSP2
SCHEMBL11363290 0.77 ALDH1A1 (0.42) FFAR1CYP2C19ALDH1A1HPGDNPC1
SCHEMBL6350606 0.74 SLC22A6 (0.38) FFAR1CYP2C19ALDH1A1HPGDNPC1
SCHEMBL6350590 0.72 POLB (0.35) FFAR1CYP2C19ALDH1A1HPGDNPC1
SCHEMBL6360896 0.71 MMP12 (0.40) FFAR1CYP2C19ALDH1A1HPGDNPC1
SCHEMBL6354046 0.70 POLB (0.33) FFAR1CYP2C19ALDH1A1HPGDNPC1
SCHEMBL6353422 0.69 MMP12 (0.36) FFAR1CYP2C19ALDH1A1HPGDNPC1
SCHEMBL6353597 0.69 MMP12 (0.38) FFAR1CYP2C19HPGD

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