SCHEMBL4158477

SCHEMBL4158477

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.60
ALDH1A1 P00352 6/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TUBB1 Q9H4B7 2/20 0.42
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 1/20 0.41
ALOX15 P16050 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 2/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL3950434 0.92 ALDH1A1 (0.64) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL3950920 0.91 ALDH1A1 (0.62) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL4211551 0.90 MAPT (0.59) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL4355930 0.90 MAPT (0.57) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL3950431 0.89 MAPT (0.60) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL3950369 0.88 ALDH1A1 (0.55) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL4038215 0.88 ALDH1A1 (0.57) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL4357338 0.88 ALDH1A1 (0.57) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL3941329 0.88 ALDH1A1 (0.58) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL3946896 0.88 ALDH1A1 (0.56) MAPTALDH1A1L3MBTL1KDM4EMEN1

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