SCHEMBL8953864

SCHEMBL8953864

CC(=O)N(C)c1ccc(COc2cccc(C(=O)C3CCOCC3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.47
KDM2B Q8NHM5 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAOA P21397 3/20 0.46
RAB9A P51151 1/20 0.45
NR4A2 P43354 4/20 0.43
NR4A1 P22736 1/20 0.42
NR4A3 Q92570 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.42
SMPD1 P17405 1/20 0.42

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
SCHEMBL8953702 0.89 MAOB (0.43) MAOBKDM2BALDH1A1MAOARAB9A
SCHEMBL8953777 0.89 MAOB (0.43) MAOBKDM2BALDH1A1MAOARAB9A
SCHEMBL8953782 0.86 MAOB (0.40) MAOBMAOANR4A2KMT2A
SCHEMBL8953796 0.82 KMT2A (0.51) MAOBKDM2BALDH1A1MAOARAB9A
SCHEMBL8953863 0.82 ALDH1A1 (0.45) MAOBKDM2BALDH1A1MAOARAB9A
SCHEMBL8953694 0.81 RAB9A (0.41) MAOBALDH1A1MAOARAB9A
SCHEMBL8953851 0.81 SLC2A1 (0.43) MAOBALDH1A1MAOARAB9A
SCHEMBL8953698 0.81 RAB9A (0.41) MAOBALDH1A1MAOARAB9A
SCHEMBL8953605 0.80 SIRT2 (0.37) KDM2BALDH1A1RAB9AKMT2A
SCHEMBL8953841 0.79 ACACA (0.41) MAOBALDH1A1MAOARAB9AKMT2A

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
US-5484786-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1996-01-16 US disclosed