SCHEMBL4784331

SCHEMBL4784331

CC(N)C(=O)Oc1coc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 16/20 0.46
MAOA P21397 4/20 0.41
ADORA2B P29275 3/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
PSMB8 P28062 1/20 0.36
PSMB5 P28074 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL7443073 1.00 MAOB (0.46) MAOBMAOAADORA2BNPC1MAPT
SCHEMBL31722071 1.00 MAOB (0.46) MAOBMAOAADORA2BNPC1MAPT
SCHEMBL5761877 0.79 TSHR (0.50) MAOBMAOAADORA2BNPC1MAPT
Ammonia Solution, Strong SCHEMBL5763481 0.78 TSHR (0.49) MAOBMAOAADORA2BNPC1MAPT
SCHEMBL5164924 0.77 MAOB (0.54) MAOBMAOAADORA2BNPC1MAPT
SCHEMBL4474110 0.76 MAOB (0.47) MAOBMAOAADORA2BNPC1PSMB8
SCHEMBL13134182 0.75 MAOB (0.45) MAOBMAOAADORA2BNPC1MAPT
SCHEMBL29093498 0.73 MAOA (0.59) MAOANPC1MAPTRAB9ASMN1; SMN2
SCHEMBL246709 0.73 ALDH1A1 (0.57) RAB9A
SCHEMBL4600933 0.73 ALDH1A1 (0.57) RAB9A

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-2008068621-A2 COMBINATION PRODUCT WITH IDO INHIBITOR AND TUMOR TARGETED IFN-GAMMA MOLMED SPA (IT) 2008-06-12 WO disclosed