SCHEMBL7043281

SCHEMBL7043281

c1ccc2c(c1)C1OC2C2OC12

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
GAA P10253 1/20 0.31

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
SCHEMBL28459975 0.90 MAOA (0.36) MEN1KMT2APOLBMAOAMAOB
SCHEMBL231069 0.83
SCHEMBL17693335 0.78 MEN1 (0.39) MEN1KMT2APOLBMAOAMAOB
SCHEMBL24278597 0.73 MAOA (0.44) MEN1KMT2APOLBMAOAMAOB
SCHEMBL25796301 0.73 MAOA (0.44) MEN1KMT2APOLBMAOAMAOB
SCHEMBL27053480 0.73 MAOA (0.44) MEN1KMT2APOLBMAOAMAOB
SCHEMBL19911231 0.71 MEN1 (0.35) MEN1KMT2APOLBMAOAMAOB
SCHEMBL21312230 0.71 MEN1 (0.35) MEN1KMT2APOLBMAOAMAOB
SCHEMBL8760521 0.71 MAOA (0.42) MEN1KMT2AMAOAMAOBGAA
SCHEMBL8028760 0.69 KDM1A (0.37)

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
WO-2003018521-A1 SUBSTITUTED ALKENE DIOLS ISIS INNOVATION LIMITED (GB) 2003-03-06 WO disclosed