SCHEMBL6359159

SCHEMBL6359159

O=C(O)CC(O)CCS(=O)(=O)c1cccs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MMP12 P39900 2/20 0.40
MMP13 P45452 2/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP14 P50281 1/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
CYP2C19 P33261 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39

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
SCHEMBL6351605 0.92 RAB9A (0.45) RAB9ANPC1PKMTSHRSLC1A3
SCHEMBL6354324 0.85 TSHR (0.44) RAB9ANPC1PKMTSHRSLC1A3
SCHEMBL6351035 0.79 PKM (0.40) PKMTSHRSLC1A3SLC1A2SLC1A1
SCHEMBL6354628 0.77 MMP13 (0.39) PKMTSHRSLC1A3SLC1A2SLC1A1
SCHEMBL3193732 0.76 MMP12 (0.49) MMP12MMP13MMP2MMP9MMP14
SCHEMBL6353062 0.75 PKM (0.42) PKMTSHRSLC1A3SLC1A2SLC1A1
SCHEMBL29296549 0.74 NPC1 (0.47) RAB9ANPC1PKMTSHRALDH1A1
SCHEMBL6206228 0.74 TSHR (0.51) RAB9ANPC1PKMTSHRSLC1A3
SCHEMBL6360010 0.73 MMP1 (0.41) RAB9ANPC1PKMTSHRSLC1A3
SCHEMBL3861759 0.72 MMP12 (0.51) RAB9ANPC1MMP12MMP13MMP2

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