SCHEMBL3630860

SCHEMBL3630860

COc1ccc(CC(C)=O)cc1.COc1ccc(CC(C)NCc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.57
NPC1 O15118 1/20 0.56
ALDH1A1 P00352 3/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
ACACB O00763 1/20 0.49
CNR2 P34972 1/20 0.49
MAPK1 P28482 1/20 0.48
ATM Q13315 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
LDHA P00338 1/20 0.48
HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL2795948 0.88 SIGMAR1 (0.74) SIGMAR1MEN1KMT2AL3MBTL1
SCHEMBL8092326 0.88 SIGMAR1 (0.74) SIGMAR1MEN1KMT2AL3MBTL1
SCHEMBL719011 0.88 SIGMAR1 (0.74) SIGMAR1MEN1KMT2AL3MBTL1
SCHEMBL593666 0.88 SIGMAR1 (0.74) SIGMAR1MEN1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL1134234 0.87 SIGMAR1 (0.72) SIGMAR1MEN1KMT2AL3MBTL1MAPK1
Hydrochloric Acid SCHEMBL1134233 0.87 SIGMAR1 (0.72) SIGMAR1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL3346880 0.86 SIGMAR1 (0.62) SIGMAR1NPC1ALDH1A1MEN1KMT2A
SCHEMBL3341840 0.86 SIGMAR1 (0.62) SIGMAR1NPC1ALDH1A1MEN1KMT2A
SCHEMBL3341844 0.86 SIGMAR1 (0.62) SIGMAR1NPC1ALDH1A1MEN1KMT2A
SCHEMBL6185283 0.85 SIGMAR1 (0.60) SIGMAR1NPC1ALDH1A1MEN1KMT2A

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-2010128355-A2 IMPROVED PROCESSES FOR PREPARING SUBSTANTIALLY PURE ARFORMOTEROL AND ITS INTERMEDIATES ACTAVIS GROUP PTC EHF (IS) 2010-11-11 WO disclosed