SCHEMBL10965698

SCHEMBL10965698

COc1cc(/C=C/C(=O)O)cc(OC)c1OCOC(C)OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.61
ALDH1A1 P00352 8/20 0.61
HPGD P15428 5/20 0.61
HSD17B10 Q99714 2/20 0.61
HTR1A P08908 1/20 0.61
HTR2C P28335 1/20 0.61
PKM P14618 2/20 0.54
PTGS1 P23219 1/20 0.54
PTGS2 P35354 1/20 0.54
HTT P42858 3/20 0.52
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GAA P10253 2/20 0.48
SNCA P37840 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA3 P07451 1/20 0.47
CSNK2A2 P19784 1/20 0.47

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
SCHEMBL10965707 1.00 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL2744007 0.91 CYP1A2 (0.52) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL2744012 0.91 CYP1A2 (0.52) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL9113586 0.86 ABCB1 (0.56) KDM4EALDH1A1SMN1; SMN2CA1CA2
SCHEMBL9113609 0.86 ABCB1 (0.56) KDM4EALDH1A1SMN1; SMN2CA1CA2
SCHEMBL13168898 0.81 KDM4E (0.76) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL8639752 0.79 KDM4E (0.73) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL8639756 0.79 KDM4E (0.73) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL13168900 0.79 KDM4E (0.73) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL13168901 0.78 KDM4E (0.71) KDM4EALDH1A1HPGDHSD17B10HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0157420-A2 Amide derivatives and 5-lipoxygenase inhibitors containing the same as an active ingredient TERUMO KABUSHIKI KAISHA trading as TERUMO CORPORATION (JP) 1985-10-09 EP disclosed