SCHEMBL5569558

SCHEMBL5569558

O=C(O)NCCCCCCCCCNC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
MAPK1 P28482 1/20 0.55
HIF1A Q16665 1/20 0.55
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
PRMT1 Q99873 1/20 0.52
ADRA1A P35348 1/20 0.48
EPHX1 P07099 6/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A2 O94788 1/20 0.48
ALDH2 P05091 1/20 0.48
ALDH1A3 P47895 1/20 0.48
PAOX Q6QHF9 2/20 0.44
POLB P06746 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CASP2 P42575 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
SCHEMBL28569684 1.00 KDM4E (0.55) KDM4EMAPK1HIF1AALDH1A1SMN1; SMN2
SCHEMBL2029681 1.00 KDM4E (0.55) KDM4EMAPK1HIF1AALDH1A1SMN1; SMN2
SCHEMBL20836564 1.00 KDM4E (0.55) KDM4EMAPK1HIF1AALDH1A1SMN1; SMN2
SCHEMBL453216 1.00 KDM4E (0.55) KDM4EMAPK1HIF1AALDH1A1SMN1; SMN2
SCHEMBL15871737 1.00 KDM4E (0.55) KDM4EMAPK1HIF1AALDH1A1SMN1; SMN2
SCHEMBL30541972 1.00 KDM4E (0.55) KDM4EMAPK1HIF1AALDH1A1SMN1; SMN2
SCHEMBL28390061 0.97 KDM4E (0.52) KDM4EMAPK1HIF1AALDH1A1SMN1; SMN2
Bromide SCHEMBL15105223 0.97 KDM4E (0.52) KDM4EMAPK1HIF1AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL10908949 0.97 KDM4E (0.52) KDM4EMAPK1HIF1AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL15105213 0.97 KDM4E (0.52) KDM4EMAPK1HIF1AALDH1A1SMN1; SMN2

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
EP-1830902-A2 COMBINATION COMPRISING AN AGENT PROVIDING A SIGNAL, AN IMPLANT MATERIAL AND A DRUG CINVENTION AG (DE) 2007-09-12 EP disclosed
WO-2006069677-A2 COMBINATION COMPRISING AN AGENT PROVIDING A SIGNAL, AN IMPLANT MATERIAL AND A DRUG CINVENTION AG (DE) 2006-07-06 WO disclosed