SCHEMBL4087910

SCHEMBL4087910

CCCCCCCCCC1OC1(O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
GRM2 Q14416 3/20 0.37
PTPN1 P18031 3/20 0.36
ACP1 P24666 2/20 0.36
CDC25B P30305 2/20 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
SCHEMBL19809159 0.80 GRM2 (0.41) MMP2MMP3MMP9GRM2
SCHEMBL9288365 0.80 GRM2 (0.41) MMP2MMP3MMP9GRM2
SCHEMBL6903183 0.80 GRM2 (0.41) MMP2MMP3MMP9GRM2
SCHEMBL19809347 0.80 GRM2 (0.41) MMP2MMP3MMP9GRM2
SCHEMBL6903187 0.80 GRM2 (0.41) MMP2MMP3MMP9GRM2
SCHEMBL6931179 0.78 GRM2 (0.40) MMP2MMP3MMP9OPRM1OPRL1
SCHEMBL28606146 0.77 MMP2 (0.44) MMP2MMP3MMP9GRM2
SCHEMBL5666557 0.73 MAPT (0.40) OPRL1
SCHEMBL19809158 0.73 GRM2 (0.39) MMP2MMP3MMP9OPRM1OPRL1
SCHEMBL10693940 0.71 KDM4E (0.40) MMP2MMP3MMP9OPRM1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62227996-A None JP disclosed
EP-2058705-B1 Toner and image forming process CANON KK (JP) 2015-09-09 EP disclosed
US-8652737-B2 Toner and image forming process CANON KABUSHIKI KAISHA (JP) 2014-02-18 US disclosed
US-20090130582-A1 TONER AND IMAGE FORMING PROCESS CANON KABUSHIKI KAISHA (JP) 2009-05-21 US disclosed
EP-2058705-A1 Toner and image forming process Canon Kabushiki Kaisha (JP) 2009-05-13 EP disclosed
JP-S62227996-A COAL-OIL MIXTURE MITSUBISHI HEAVY IND LTD 1987-10-06 JP disclosed