SCHEMBL77330

SCHEMBL77330

CC(C)(C)OC(=O)N1C[C@H](OCC(O)CO)C[C@]1(C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 4/20 0.39
WDR77 Q9BQA1 4/20 0.39
NR1H2 P55055 1/20 0.35
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.30
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL2182044 0.80 NR1H2 (0.35) NR1H2
SCHEMBL3310033 0.79 NR1H2 (0.34) NR1H2MEN1KMT2A
SCHEMBL76722 0.79 NR1H2 (0.36) NR1H2
SCHEMBL23942085 0.79 NR1H2 (0.36) NR1H2SMN1; SMN2
SCHEMBL2146337 0.79 NR1H2 (0.36) NR1H2SMN1; SMN2
SCHEMBL18321103 0.79 NR1H2 (0.36) NR1H2SMN1; SMN2
SCHEMBL27223224 0.76 ABCB1 (0.41) PRMT5WDR77MEN1KMT2A
SCHEMBL704571 0.76 ABCB1 (0.41) PRMT5WDR77MEN1KMT2A
SCHEMBL23043429 0.76 ABCB1 (0.41) PRMT5WDR77MEN1KMT2A
SCHEMBL15091703 0.76 NR1H2 (0.52) NR1H2MEN1KMT2ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed