SCHEMBL13168902

SCHEMBL13168902

COc1cc(/C=C/C(=O)O)cc(OC)c1OCCCCCOc1c(OC)cc(/C=C/C(=O)O)cc1OC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.71
ALDH1A1 P00352 6/20 0.71
HPGD P15428 4/20 0.71
HSD17B10 Q99714 2/20 0.71
HTR1A P08908 1/20 0.71
HTR2C P28335 1/20 0.71
PKM P14618 2/20 0.62
PTGS1 P23219 1/20 0.62
PTGS2 P35354 1/20 0.62
TNFRSF1A P19438 1/20 0.58
ACHE P22303 4/20 0.57
ALOX15 P16050 1/20 0.56
MAPK1 P28482 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
GAA P10253 2/20 0.55
CYP2C9 P11712 1/20 0.54
HTT P42858 3/20 0.54
SNCA P37840 2/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54

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
SCHEMBL13168904 1.00 KDM4E (0.71) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL13168900 0.95 KDM4E (0.73) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL28386689 0.94 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL14366679 0.94 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL13168898 0.94 KDM4E (0.76) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL13186178 0.91 KDM4E (0.59) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL13186116 0.91 KDM4E (0.59) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL11226250 0.90 KDM4E (0.71) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL8637822 0.90 KDM4E (0.69) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL8637826 0.90 KDM4E (0.69) 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
US-7799830-B2 Cinnamic acid dimers, their preparation and the use thereof for treating neurodegenerative disease KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-09-21 US disclosed