SCHEMBL5225285

SCHEMBL5225285

CC(C)C[C@H](O)C(=O)N[C@H](C(=O)N[C@H]1C(=O)Nc2ccccc2O[C@H]1c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
GAA P10253 1/20 0.38
LTA4H P09960 2/20 0.38
ANPEP P15144 2/20 0.38
MMP2 P08253 3/20 0.37
MMP9 P14780 3/20 0.37
MMP1 P03956 2/20 0.37
MMP3 P08254 2/20 0.37
MMP14 P50281 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36

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
SCHEMBL3346522 1.00 TP53 (0.40) TP53MAPTTHRBGAALTA4H
SCHEMBL3346528 1.00 TP53 (0.40) TP53MAPTTHRBGAALTA4H
SCHEMBL5225277 1.00 TP53 (0.40) TP53MAPTTHRBGAALTA4H
SCHEMBL3343365 0.91 TP53 (0.41) TP53MAPTTHRBGAAALDH1A1
SCHEMBL3342735 0.91 PSEN1 (0.42) TP53MAPTTHRBPSEN1PSEN2
SCHEMBL3343374 0.89 HSD17B10 (0.44) TP53MAPTTHRBLTA4HANPEP
SCHEMBL3343297 0.89 HSD17B10 (0.44) TP53MAPTTHRBLTA4HANPEP
SCHEMBL3343221 0.89 GRM7 (0.35) LTA4HANPEPMMP2MMP9MMP1
SCHEMBL3343216 0.89 GRM7 (0.35) LTA4HANPEPMMP2MMP9MMP1
SCHEMBL3342765 0.87 GAA (0.42) TP53MAPTTHRBGAALTA4H

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
EP-1845089-A1 Novel lactams and uses thereof AstraZeneca AB (SE) 2007-10-17 EP disclosed