SCHEMBL5000556

SCHEMBL5000556

O=C(O)CC(O)CCSc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 5/20 0.42
MMP13 P45452 5/20 0.42
MMP2 P08253 2/20 0.40
CA2 P00918 9/20 0.40
CA1 P00915 5/20 0.40
CA7 P43166 5/20 0.40
CA12 O43570 3/20 0.40
CA13 Q8N1Q1 3/20 0.40
MMP9 P14780 1/20 0.37
MMP14 P50281 1/20 0.37
CA4 P22748 2/20 0.36
CA9 Q16790 2/20 0.36
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.34
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL3200512 0.81 ALDH1A1 (0.53) MMP12MMP13MMP2MMP9MMP14
SCHEMBL4258900 0.81 ALDH1A1 (0.53) MMP12MMP13MMP2MMP9MMP14
SCHEMBL4994953 0.80 ALDH1A1 (0.44) MMP12MMP13MMP2MMP9MMP14
SCHEMBL4989028 0.80 MMP12 (0.48) MMP12MMP13SMN1; SMN2ALDH1A1LMNA
SCHEMBL5694456 0.78 ALDH1A1 (0.46) MMP12MMP13SMN1; SMN2ALDH1A1LMNA
SCHEMBL5694458 0.77 MMP12 (0.58) MMP12MMP13MMP2MMP9MMP14
SCHEMBL26092513 0.73 ALDH1A1 (0.56) CA2CA1CA7CA12CA13
SCHEMBL14093840 0.72 MTNR1A (0.38) MMP2CA2CA1CA7CA12
SCHEMBL4988938 0.72 MMP12 (0.43) MMP12MMP13MMP2MMP9MMP14
SCHEMBL3947072 0.71 ALDH1A1 (0.57) MMP12MMP13MMP2MMP9MMP14

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 9 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 claimed
US-7045321-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) 2006-05-16 US claimed
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 claimed
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 claimed
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 claimed
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