SCHEMBL5718698

SCHEMBL5718698

O=C(O)CC(O)CC[S+]([O-])c1cccc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 4/20 0.38
MMP13 P45452 4/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP14 P50281 1/20 0.38
FFAR1 O14842 2/20 0.36
PTGER1 P34995 2/20 0.34
PTGFR P43088 2/20 0.34
PTGER3 P43115 1/20 0.34
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
MME P08473 1/20 0.33
MMEL1 Q495T6 1/20 0.33
SLC1A1 P43005 2/20 0.33
CES2 O00748 2/20 0.33
CES1 P23141 2/20 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
SCHEMBL4407017 0.84 MMP12 (0.47) MMP12MMP13MMP2MMP9MMP14
SCHEMBL5683071 0.83 MMP12 (0.38) MMP12MMP13MMP2MMP9MMP14
SCHEMBL5682089 0.74 MMP12 (0.38) MMP12MMP13MMP2MMP9MMP14
SCHEMBL6360896 0.70 MMP12 (0.40) MMP12MMP13MMP2MMP9MMP14
SCHEMBL5682990 0.70 MMP12 (0.44) MMP12MMP13MMP2MMP9MMP14
SCHEMBL5718705 0.69 PTGER1 (0.46) MMP12MMP13MMP2MMP9MMP14
SCHEMBL28045303 0.69 SLC1A1 (0.55) FFAR1MMEMMEL1SLC1A1
SCHEMBL5718730 0.69 EEF2K (0.41) MMP12MMP13MMP2MMP9MMP14
SCHEMBL5613327 0.68 MMP12 (0.74) MMP12MMP13MMP2MMP9MMP14
SCHEMBL4653976 0.66 USP2 (0.51) FFAR1ADRB2ADRB1

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
EP-1253162-B1 Polyhydroxyalkanoates having in its side chain phenylsulfinyl structure and/or phenyl sulfonyl structure and production process therefore; charge control agent, toner binder and toner containing same; image forming method and image forming apparatus using the toner CANON KK (JP) 2006-04-19 EP disclosed
US-6808854-B2 PRODUCED BY OXIDIZING WITH A PEROXIDE A BIOSYNTHETIC POLYHYDROXYALKANOATE; BIODEGRADABLE CANON KABUSHIKI KAISHA (JP) 2004-10-26 US disclosed
US-20030100700-A1 Novel polyhydroxyalkanoates having in its side chain phenylsulfinyl structure and/or phenyl sulfonyl structure and production process therefor; charge control agent, toner binder and toner containing same; and image forming method and image forming apparatus using the toner CANON KABUSHIKI KAISHA (JP) 2003-05-29 US disclosed
EP-1253162-A2 Polyhydroxyalkanoates having in its side chain phenylsulfinyl structure and/or phenyl sulfonyl structure and production process therefore; charge control agent, toner binder and toner containing same; image forming method and image forming apparatus using the toner CANON KABUSHIKI KAISHA (JP) 2002-10-30 EP disclosed