SCHEMBL4347563

SCHEMBL4347563

COc1ccc2c(C(=O)C(=O)N(CC(=O)OC(C)(C)C)CC(=O)N(C(C)C)C3CCCCC3)c[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
ALDH1A1 P00352 5/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TUBB1 Q9H4B7 2/20 0.38
HSD17B10 Q99714 1/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
NPC1 O15118 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.35
ABCG2 Q9UNQ0 3/20 0.35
ABCB1 P08183 1/20 0.35
ABCC1 P33527 1/20 0.35

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
SCHEMBL3950113 0.86 ALDH1A1 (0.54) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL3119104 0.84 MAPT (0.55) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL4158477 0.82 MAPT (0.60) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL3950434 0.79 ALDH1A1 (0.64) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL7992745 0.79 MAPT (0.55) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL3950920 0.78 ALDH1A1 (0.62) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL4199731 0.78 ALDH1A1 (0.42) MAPTALDH1A1L3MBTL1KMT2A
SCHEMBL4347559 0.78 ALDH1A1 (0.49) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL3950431 0.77 MAPT (0.60) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL4211551 0.76 MAPT (0.59) MAPTALDH1A1L3MBTL1KDM4EMEN1

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-2009019508-A1 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2009-02-12 WO disclosed