SCHEMBL4033045

SCHEMBL4033045

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
MAPT P10636 6/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 2/20 0.38
HSD17B10 Q99714 1/20 0.37
TUBB1 Q9H4B7 1/20 0.37
ALOX15 P16050 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
EPHX1 P07099 1/20 0.36
EPHX2 P34913 1/20 0.36
KLK7 P49862 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
SCHEMBL4206059 0.96 ALDH1A1 (0.51) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL4206065 0.96 ALDH1A1 (0.51) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL3940683 0.94 MAPT (0.50) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL3950752 0.92 ALDH1A1 (0.47) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL3941048 0.91 MAPT (0.49) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL3941054 0.91 MAPT (0.49) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL3942936 0.89 MAPT (0.47) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL3942940 0.89 MAPT (0.47) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL3950664 0.88 MAPT (0.52) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL3941764 0.88 MAPT (0.52) ALDH1A1MAPTL3MBTL1MEN1KMT2A

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