SCHEMBL8285651

SCHEMBL8285651

O=C1OCc2c(OCCO)cccc21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TIPARP Q7Z3E1 2/20 0.40
HTT P42858 2/20 0.38
LMNA P02545 2/20 0.38
KCNJ1 P48048 1/20 0.38
KCNH2 Q12809 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KEAP1 Q14145 2/20 0.37
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NFE2L2 Q16236 1/20 0.36
POLB P06746 1/20 0.36
MAPK14 Q16539 2/20 0.36
AR P10275 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
USP2 O75604 1/20 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
SCHEMBL16111006 0.83 TIPARP (0.41) TIPARPKCNJ1KCNH2KEAP1MAOA
SCHEMBL16110979 0.81 HTR2A (0.44) KCNJ1KCNH2MAOAMAOBMEN1
SCHEMBL31119631 0.81 HTR2A (0.44) KCNJ1KCNH2MAOAMAOBMEN1
SCHEMBL28346647 0.76 ABCB1 (0.53) TIPARPHTTLMNASMN1; SMN2KEAP1
SCHEMBL31162811 0.75 ACHE (0.53) LMNAKCNJ1MAOBKDM4EMAPK14
SCHEMBL78687 0.75 ACHE (0.53) LMNAKCNJ1MAOBKDM4EMAPK14
SCHEMBL7632703 0.73 PTGS2 (0.47) HTTLMNAKCNJ1SMN1; SMN2MAOB
SCHEMBL7110196 0.71 MAOA (0.42) KCNJ1KCNH2MAOAMAOBKDM4E
SCHEMBL17305579 0.71 KCNA3 (0.59) HTTSMN1; SMN2MAOAMEN1KMT2A
SCHEMBL27987728 0.71 ALOX5 (0.50) KCNJ1KCNH2MAOAMAOBMEN1

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-1707202-A1 Organic compounds Speedel Experimenta AG (CH) 2006-10-04 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 WO disclosed