SCHEMBL3946896

SCHEMBL3946896

COCCNC(=O)CN(CC(=O)N(C1CCCCC1)C1CCCCC1)C(=O)C(=O)c1c[nH]c2cc(OC)ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
MAPT P10636 4/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 2/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
ALOX15 P16050 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
HTR4 Q13639 2/20 0.38
TUBB1 Q9H4B7 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 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
SCHEMBL3946586 0.90 ALDH1A1 (0.54) ALDH1A1MAPTL3MBTL1KDM4EHSD17B10
SCHEMBL3950369 0.90 ALDH1A1 (0.55) ALDH1A1MAPTL3MBTL1KDM4EHSD17B10
SCHEMBL3950431 0.89 MAPT (0.60) ALDH1A1MAPTL3MBTL1KDM4EHSD17B10
SCHEMBL4355930 0.88 MAPT (0.57) ALDH1A1MAPTL3MBTL1KDM4ELMNA
SCHEMBL7937758 0.88 ALDH1A1 (0.61) ALDH1A1MAPTL3MBTL1KDM4EHSD17B10
SCHEMBL4158477 0.88 MAPT (0.60) ALDH1A1MAPTL3MBTL1KDM4EHSD17B10
SCHEMBL3950434 0.87 ALDH1A1 (0.64) ALDH1A1MAPTL3MBTL1KDM4EHSD17B10
SCHEMBL3950920 0.86 ALDH1A1 (0.62) ALDH1A1MAPTL3MBTL1KDM4EHSD17B10
SCHEMBL4211551 0.85 MAPT (0.59) ALDH1A1MAPTL3MBTL1KDM4EHSD17B10
SCHEMBL3946900 0.85 ALDH1A1 (0.49) ALDH1A1MAPTL3MBTL1KDM4EHSD17B10

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