SCHEMBL4030827

SCHEMBL4030827

COc1ccc2c(C(=O)C(=O)N(CC(=O)NC3(C4CCCCC4)CCCCC3)Cc3cc(C)no3)c[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MAPT P10636 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TUBB1 Q9H4B7 1/20 0.34
TRPV1 Q8NER1 3/20 0.34
NPC1 O15118 1/20 0.33
FAAH O00519 1/20 0.33
ALOX15 P16050 1/20 0.33
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33

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
SCHEMBL3944219 0.86 ALDH1A1 (0.44) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL3950925 0.86 MAPT (0.51) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL4211554 0.85 MAPT (0.50) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL3941334 0.83 MAPT (0.49) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL4030823 0.83 ALDH1A1 (0.53) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL4456116 0.83 ALDH1A1 (0.49) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL3950155 0.82 ALDH1A1 (0.46) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL3946900 0.82 ALDH1A1 (0.49) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL4038220 0.82 ALDH1A1 (0.47) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL4357340 0.82 ALDH1A1 (0.47) ALDH1A1MAPTL3MBTL1KDM4EMEN1

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 claimed