SCHEMBL3941329

SCHEMBL3941329

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
MAPT P10636 5/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 3/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TUBB1 Q9H4B7 2/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.40
ALOX15 P16050 1/20 0.40
RECQL P46063 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MC4R P32245 1/20 0.39
MC5R P33032 1/20 0.39
MC3R P41968 1/20 0.39
TSHR P16473 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
SCHEMBL4211551 0.96 MAPT (0.59) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL3950920 0.91 ALDH1A1 (0.62) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL3942658 0.91 ALDH1A1 (0.58) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL3950431 0.90 MAPT (0.60) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL3950434 0.89 ALDH1A1 (0.64) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL4158477 0.88 MAPT (0.60) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL3950369 0.87 ALDH1A1 (0.55) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL4355930 0.86 MAPT (0.57) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL4038215 0.85 ALDH1A1 (0.57) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL4357338 0.85 ALDH1A1 (0.57) 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 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