SCHEMBL4023069

SCHEMBL4023069

COc1ccc2c(C(=O)C(=O)N(CC(=O)O)CC(=O)NC3(C4CCCCC4)CCCCC3)csc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.34
ALDH1A1 P00352 4/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MITF O75030 4/20 0.33
NPSR1 Q6W5P4 4/20 0.33
MTNR1A P48039 4/20 0.33
MTNR1B P49286 4/20 0.33
PKM P14618 3/20 0.33
OPRK1 P41145 2/20 0.33
HTT P42858 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MAPK1 P28482 2/20 0.33
DYRK1A Q13627 1/20 0.33
LMNA P02545 1/20 0.33
HSP90AA1 P07900 1/20 0.33
XBP1 P17861 1/20 0.33
PAX8 Q06710 1/20 0.33
MPI P34949 1/20 0.32
MEN1 O00255 5/20 0.32

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
SCHEMBL4023064 0.81 ALDH1A1 (0.41) MAPTALDH1A1L3MBTL1NPSR1MTNR1A
SCHEMBL4211554 0.78 MAPT (0.50) MAPTALDH1A1L3MBTL1MTNR1AMTNR1B
SCHEMBL3941334 0.77 MAPT (0.49) MAPTALDH1A1L3MBTL1MTNR1AMTNR1B
SCHEMBL3950925 0.76 MAPT (0.51) MAPTALDH1A1L3MBTL1MTNR1AMTNR1B
SCHEMBL4038220 0.74 ALDH1A1 (0.47) MAPTALDH1A1L3MBTL1MTNR1AMTNR1B
SCHEMBL3946900 0.74 ALDH1A1 (0.49) MAPTALDH1A1L3MBTL1MTNR1AMTNR1B
SCHEMBL4357340 0.74 ALDH1A1 (0.47) MAPTALDH1A1L3MBTL1MTNR1AMTNR1B
SCHEMBL3950155 0.73 ALDH1A1 (0.46) MAPTALDH1A1L3MBTL1MITFNPSR1
SCHEMBL3943595 0.73 HDAC3 (0.36) MAPTALDH1A1L3MBTL1MTNR1AMTNR1B
SCHEMBL3942258 0.72 ALDH1A1 (0.45) MAPTALDH1A1L3MBTL1NPC1RAB9A

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