SCHEMBL6853856

SCHEMBL6853856

CC(C)(C)OC(=O)N1Cc2cc(O)ccc2C[C@H]1CO

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.52
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PTPN1 P18031 4/20 0.45
HDAC8 Q9BY41 8/20 0.44
NR1H2 P55055 1/20 0.43
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
SRC P12931 4/20 0.39

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
SCHEMBL29798888 0.89 MEN1 (0.46) ESR2MEN1KMT2APTPN1HDAC8
SCHEMBL2732550 0.89 MEN1 (0.46) ESR2MEN1KMT2APTPN1HDAC8
SCHEMBL17573049 0.88 HDAC8 (0.47) MEN1KMT2APTPN1HDAC8NR1H2
SCHEMBL19460717 0.88 HDAC8 (0.47) MEN1KMT2APTPN1HDAC8NR1H2
SCHEMBL6394031 0.86 NR1H2 (0.59) MEN1KMT2APTPN1HDAC8NR1H2
SCHEMBL29676732 0.86 HDAC8 (0.48) MEN1KMT2APTPN1HDAC8NR1H2
SCHEMBL18793351 0.86 HDAC8 (0.48) MEN1KMT2APTPN1HDAC8NR1H2
SCHEMBL20720097 0.86 HDAC8 (0.48) MEN1KMT2APTPN1HDAC8NR1H2
SCHEMBL6394027 0.86 NR1H2 (0.59) MEN1KMT2APTPN1HDAC8NR1H2
SCHEMBL19329129 0.85 HDAC8 (0.52) MEN1KMT2APTPN1HDAC8

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-6828427-B1 Oligomeric aminodiol-containing compounds, libraries thereof, and process of preparing the same ISIS PHARMACEUTICALS, INC. 2004-12-07 US disclosed