SCHEMBL4038215

SCHEMBL4038215

COc1ccc2c(C(=O)C(=O)N(CC(=O)N3CCCC3)CC(=O)N(C3CCCCC3)C3CCCCC3)c[nH]c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
MAPT P10636 5/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
KDM4E B2RXH2 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.46
HSD17B10 Q99714 2/20 0.44
HPGD P15428 1/20 0.44
NPC1 O15118 2/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.42
RECQL P46063 1/20 0.40
TUBB1 Q9H4B7 1/20 0.40
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38

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
SCHEMBL4357338 1.00 ALDH1A1 (0.57) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL3942255 0.94 ALDH1A1 (0.54) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL3950113 0.90 ALDH1A1 (0.54) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL3950434 0.89 ALDH1A1 (0.64) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL4158477 0.88 MAPT (0.60) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL3950920 0.88 ALDH1A1 (0.62) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL3950431 0.86 MAPT (0.60) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL4211551 0.85 MAPT (0.59) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL7949180 0.85 ALDH1A1 (0.55) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL4355930 0.85 MAPT (0.57) 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 disclosed