SCHEMBL3950752

SCHEMBL3950752

COc1ccc2c(C(=O)C(=O)N(CC(=O)O)C(C(=O)Nc3ccc(CO)cc3)C3CCCCC3)c[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
MAPT P10636 6/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
HAT1 O14929 3/20 0.37
EP300 Q09472 3/20 0.37
NPC1 O15118 2/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.36
TUBB1 Q9H4B7 1/20 0.36
RAB9A P51151 1/20 0.36
NHERF1 O14745 1/20 0.35
RECQL P46063 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
SCHEMBL4206065 0.95 ALDH1A1 (0.51) ALDH1A1MAPTL3MBTL1SMN1; SMN2MEN1
SCHEMBL4206059 0.95 ALDH1A1 (0.51) ALDH1A1MAPTL3MBTL1SMN1; SMN2MEN1
SCHEMBL4033045 0.92 ALDH1A1 (0.49) ALDH1A1MAPTL3MBTL1SMN1; SMN2MEN1
SCHEMBL3940683 0.92 MAPT (0.50) ALDH1A1MAPTL3MBTL1SMN1; SMN2MEN1
SCHEMBL3941048 0.89 MAPT (0.49) ALDH1A1MAPTL3MBTL1SMN1; SMN2MEN1
SCHEMBL3941054 0.89 MAPT (0.49) ALDH1A1MAPTL3MBTL1SMN1; SMN2MEN1
SCHEMBL3942936 0.87 MAPT (0.47) ALDH1A1MAPTL3MBTL1SMN1; SMN2MEN1
SCHEMBL3942940 0.87 MAPT (0.47) ALDH1A1MAPTL3MBTL1SMN1; SMN2MEN1
SCHEMBL4542623 0.87 MAPT (0.52) ALDH1A1MAPTL3MBTL1SMN1; SMN2MEN1
SCHEMBL3941764 0.87 MAPT (0.52) ALDH1A1MAPTL3MBTL1SMN1; SMN2MEN1

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