SCHEMBL27969652

SCHEMBL27969652

CC(C)(C)OC(=O)NC1(C(=O)O)CC[CH]CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
MAPK1 P28482 1/20 0.35
APLNR P35414 1/20 0.34
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
GAA P10253 3/20 0.33
BTK Q06187 1/20 0.33
CTSL P07711 1/20 0.32
AKT1 P31749 2/20 0.32
LPAR1 Q92633 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL142219 0.88 MEN1 (0.39) GHSRKMT2AMEN1MAPK1APLNR
SCHEMBL76966 0.84 BTK (0.38) GHSRKMT2AMEN1MAPK1APLNR
SCHEMBL202837 0.84 BTK (0.38) GHSRKMT2AMEN1MAPK1APLNR
SCHEMBL496169 0.83 FAAH (0.39) GHSRKMT2AMEN1MAPK1GAA
SCHEMBL8980908 0.83 FAAH (0.39) GHSRKMT2AMEN1MAPK1GAA
SCHEMBL550992 0.83 FAAH (0.39) GHSRKMT2AMEN1MAPK1GAA
SCHEMBL8981350 0.83 FAAH (0.39) GHSRKMT2AMEN1MAPK1GAA
SCHEMBL1012064 0.83 FAAH (0.39) GHSRKMT2AMEN1MAPK1GAA
SCHEMBL19204868 0.83 GHSR (0.33) GHSRKMT2AMEN1MAPK1APLNR
SCHEMBL2789711 0.82 GHSR (0.37) GHSRKMT2AMEN1MAPK1APLNR

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
CN-104039796-A 1-oxo/acylation-14-acylated oridonin derivative, and preparation method and application thereof HANGZHOU BENSHENG PHARMACEUTICAL CO LTD 2014-09-10 CN claimed