SCHEMBL5575615

SCHEMBL5575615

O=C(O)C[C@H](O)CCOCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 3/20 0.55
MMP13 P45452 2/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP14 P50281 1/20 0.51
CA1 P00915 3/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPC1 O15118 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FOLH1 Q04609 1/20 0.46
TSHR P16473 1/20 0.45
DPP4 P27487 1/20 0.44
HMGCR P04035 1/20 0.43
MAPK1 P28482 1/20 0.42

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
SCHEMBL3810677 1.00 MMP12 (0.55) MMP12MMP13MMP2MMP9MMP14
SCHEMBL4611958 1.00 MMP12 (0.55) MMP12MMP13MMP2MMP9MMP14
SCHEMBL27637199 0.90 MMP12 (0.52) MMP12MMP13MMP2MMP9MMP14
SCHEMBL27618004 0.90 MMP12 (0.52) MMP12MMP13MMP2MMP9MMP14
SCHEMBL27637198 0.90 MMP12 (0.52) MMP12MMP13MMP2MMP9MMP14
SCHEMBL28804838 0.88 SMN1; SMN2 (0.48) MMP12CA1CA2CA7CA9
SCHEMBL5159361 0.88 MMP12 (0.50) MMP12MMP13MMP2MMP9MMP14
SCHEMBL19271697 0.87 NPC1 (0.48) MMP12MMP9CA1CA2CA7
SCHEMBL19987726 0.84 NPC1 (0.52) MMP12CA1CA2CA7CA9
SCHEMBL9518843 0.84 NPC1 (0.49) MMP12MMP9CA1CA2CA7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070027291-A1 Structure and method for producing structure, toner containing structure, image forming method and device using toner CANON KABUSHIKI KAISHA (JP) 2007-02-01 US disclosed
WO-2004097530-A1 STRUCTURE AND METHOD FOR PRODUCING STRUCTURE, TONER CONTAINING STRUCTURE, IMAGE FORMING METHOD AND DEVICE USING TONER CANON KABUSHIKI KAISHA (JP) 2004-11-11 WO disclosed