SCHEMBL10243813

SCHEMBL10243813

COC(=O)C1CCC(=O)/C(=C\N(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
BRD4 O60885 1/20 0.37
F2 P00734 3/20 0.36
F10 P00742 1/20 0.36
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.31
MAP1LC3B Q9GZQ8 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
BUB1 O43683 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 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
SCHEMBL23277064 1.00 MAPT (0.42) MAPTGAANPSR1BRD4F2
SCHEMBL23277063 1.00 MAPT (0.42) MAPTGAANPSR1BRD4F2
SCHEMBL23276873 0.88 MAPT (0.42) MAPTGAANPSR1BRD4F2
SCHEMBL23276872 0.88 MAPT (0.42) MAPTGAANPSR1BRD4F2
SCHEMBL14720181 0.86 MAPT (0.44) MAPTGAANPSR1BRD4F2
SCHEMBL23284252 0.86 MAPT (0.44) MAPTGAANPSR1BRD4F2
SCHEMBL14720183 0.86 MAPT (0.44) MAPTGAANPSR1BRD4F2
SCHEMBL14000524 0.85 HRH3 (0.33) MAPTGAANPSR1
SCHEMBL437950 0.84 PDK1 (0.41) MAPTGAAKMT2AMEN1ALDH1A1
SCHEMBL437951 0.84 PDK1 (0.41) MAPTGAAKMT2AMEN1ALDH1A1

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-2012085167-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-06-28 WO disclosed