SCHEMBL3378203

SCHEMBL3378203

CC(C)(C)OC(=O)N[C@@]1(C)CCC[C@H]1C=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.35
GAA P10253 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
EPHX1 P07099 1/20 0.34
CTSK P43235 5/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
HCRTR2 O43614 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL3383031 0.94 GAA (0.39) BTKGAAKMT2AMEN1MAPK1
SCHEMBL27963434 0.80 BTK (0.38) BTKGAAKMT2AMEN1MAPK1
SCHEMBL17017335 0.80 BTK (0.38) BTKGAAKMT2AMEN1MAPK1
SCHEMBL16654374 0.80 BTK (0.38) BTKGAAKMT2AMEN1MAPK1
SCHEMBL3052729 0.78 BTK (0.46) BTKGAAKMT2AMEN1MAPK1
SCHEMBL17007379 0.78 BTK (0.46) BTKGAAKMT2AMEN1MAPK1
SCHEMBL17007311 0.77 BTK (0.35) BTKGAAKMT2AMEN1MAPK1
SCHEMBL28834730 0.75 BTK (0.35) BTKGAAKMT2AMEN1MAPK1
SCHEMBL3375124 0.74 MEN1 (0.39) BTKKMT2AMEN1MAPK1CTSK
SCHEMBL18607626 0.73 BTK (0.33) BTKGAAKMT2AMEN1MAPK1

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-2012000608-A2 NOVEL BETA-AMINOALDEHYDE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR CHEMICAL USE AS REACTIVE INTERMEDIATES GLUESENKAMP KARL-HEINZ (DE) 2012-01-05 WO disclosed