SCHEMBL4994097

SCHEMBL4994097

O=C(O)CC(O)CSc1ccccc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.54
POLB P06746 2/20 0.43
KDM4E B2RXH2 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP12 P39900 1/20 0.40
MMP13 P45452 1/20 0.40
MMP14 P50281 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
ALDH1A1 P00352 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.38
CYP1A2 P05177 1/20 0.37
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RIPK2 O43353 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL10432986 0.80 BACE1 (0.59) BACE1POLBKDM4ESMN1; SMN2NPC1
SCHEMBL7794850 0.78 BACE1 (0.57) BACE1POLBKDM4ESMN1; SMN2NPC1
SCHEMBL7794846 0.78 BACE1 (0.57) BACE1POLBKDM4ESMN1; SMN2NPC1
SCHEMBL4996628 0.78 FFAR1 (0.53) MMP2MMP9MMP12MMP13MMP14
SCHEMBL4273989 0.75 CYP1A2 (0.61) POLBKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL8817290 0.74 BACE1 (0.53) BACE1POLBKDM4ESMN1; SMN2NPC1
SCHEMBL417703 0.73 MAPT (0.48) POLBMMP12MMP13SMN1; SMN2NPC1
SCHEMBL4994124 0.73 MAPT (0.48) POLBMMP12MMP13SMN1; SMN2NPC1
SCHEMBL5143206 0.73 ALDH1A1 (0.49) POLBSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL29514990 0.73 ALDH1A1 (0.49) POLBSMN1; SMN2NPC1RAB9AALDH1A1

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-7408017-B2 Polyhydroxyalkanoate containing unit with phenylsulfanyl structure in the side chain, process for its production, charge control agent, toner binder and toner which contain novel polyhydroxyalkanoate, and image forming method and image-forming apparatus which make use of the toner CANON KABUSHIKI KAISHA (JP) 2008-08-05 US disclosed
US-20050250191-A1 Novel polyhydroxyalkanoate containing unit with phenylsulfanyl structure in the side chain, process for its production, charge control agent, toner binder and toner which contain novel polyhydroxyalkanoate, and image forming method and image-forming apparatus which make use of the toner CANON KABUSHIKI KAISHA (JP) 2005-11-10 US disclosed
US-20030013841-A1 Novel polyhydroxyalkanoate containing unit with phenylsulfanyl structure in the side chain, process for its production, charge control agent, toner binder and toner which contain novel polyhydroxyalkanoate, and image-forming method and image-forming apparatus which make use of the toner CANON KABUSHIKI KAISHA (JP) 2003-01-16 US disclosed
EP-1236755-A2 Novel polyhydroxyalkanoate containing unit phenylsulfanyl structure in the side cahin, process for its production, charge control agent, toner binder and toner which contain novel polyhydroxyalkanoate, and imageforming apparatus which make use of the toner CANON KABUSHIKI KAISHA (JP) 2002-09-04 EP disclosed