SCHEMBL6900858

SCHEMBL6900858

COc1c(Br)cccc1Oc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LTA4H P09960 2/20 0.45
CA4 P22748 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
FYN P06241 1/20 0.41
RIPK1 Q13546 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
TSHR P16473 1/20 0.39
TTR P02766 3/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 2/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 2/20 0.39
DPP4 P27487 1/20 0.39
CYP1A2 P05177 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
SCHEMBL5372849 0.86 TSHR (0.44) ALDH1A1MAPK1HTTL3MBTL1LTA4H
SCHEMBL4596133 0.82 MAPK1 (0.59) ALDH1A1MAPK1HTTL3MBTL1LTA4H
SCHEMBL1627615 0.80 SMN1; SMN2 (0.50) ALDH1A1MAPK1HTTL3MBTL1CA4
SCHEMBL29732515 0.80 SMN1; SMN2 (0.50) ALDH1A1MAPK1HTTL3MBTL1CA4
SCHEMBL9139036 0.79 HTT (0.50) ALDH1A1MAPK1HTTL3MBTL1LTA4H
SCHEMBL27468784 0.78 DPP4 (0.54) ALDH1A1MAPK1HTTL3MBTL1LTA4H
SCHEMBL130304 0.78 LTA4H (0.52) ALDH1A1MAPK1HTTL3MBTL1LTA4H
SCHEMBL11165658 0.77 SLC6A2 (0.47) ALDH1A1MAPK1HTTL3MBTL1LTA4H
SCHEMBL14857881 0.77 LTA4H (0.42) ALDH1A1MAPK1HTTL3MBTL1LTA4H
SCHEMBL17472520 0.77 ALDH1A1 (0.57) ALDH1A1MAPK1HTTL3MBTL1LTA4H

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1443923-A1 HYDROXY SUBSTITUTED AMIDES FOR THE TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-08-11 EP disclosed
WO-2003037325-A1 HYDROXY SUBSTITUTED AMIDES FOR THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-05-08 WO disclosed