SCHEMBL5718705

SCHEMBL5718705

O=C(O)CC(O)CCSc1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.46
PTGFR P43088 1/20 0.46
EPHX1 P07099 1/20 0.42
FFAR1 O14842 1/20 0.40
MMP12 P39900 3/20 0.39
MMP13 P45452 3/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP14 P50281 1/20 0.39
APEX1 P27695 1/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC6A9 P48067 4/20 0.37
GRM2 Q14416 1/20 0.37
GRM3 Q14832 1/20 0.37
HTT P42858 1/20 0.35

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
SCHEMBL4258900 0.83 ALDH1A1 (0.53) FFAR1MMP12MMP13MMP2MMP9
SCHEMBL3200512 0.83 ALDH1A1 (0.53) FFAR1MMP12MMP13MMP2MMP9
SCHEMBL4994953 0.82 ALDH1A1 (0.44) FFAR1MMP12MMP13MMP2MMP9
SCHEMBL8473000 0.79 ALDH1A1 (0.51) PTGER1PTGFREPHX1FFAR1APEX1
SCHEMBL4027432 0.76 ALDH1A1 (0.67) PTGER1PTGFREPHX1FFAR1APEX1
SCHEMBL4278929 0.75 APEX1 (0.64) PTGER1PTGFREPHX1FFAR1APEX1
SCHEMBL5718731 0.75 ALDH1A1 (0.60) PTGER1PTGFREPHX1FFAR1APEX1
SCHEMBL4541223 0.74 ALDH1A1 (0.58) PTGER1PTGFREPHX1FFAR1APEX1
SCHEMBL4989028 0.73 MMP12 (0.48) MMP12MMP13ALDH1A1LMNAL3MBTL1
SCHEMBL3947072 0.73 ALDH1A1 (0.57) FFAR1MMP12MMP13MMP2MMP9

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