SCHEMBL27675609

SCHEMBL27675609

CP(C)(=O)OCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.56
MAOA P21397 1/20 0.56
TSHR P16473 4/20 0.54
LMNA P02545 2/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
RAB9A P51151 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
AKR1C3 P42330 1/20 0.46
PKM P14618 1/20 0.46
CA12 O43570 1/20 0.46
ACHE P22303 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL29623809 0.84 MAOB (0.56) MAOBMAOATSHRLMNAMEN1
SCHEMBL791926 0.82 TSHR (0.62) MAOBMAOATSHRLMNAMEN1
SCHEMBL28865842 0.81 MAOB (0.50) MAOBMAOATSHRMEN1KMT2A
SCHEMBL1767329 0.80 TSHR (0.65) MAOBMAOATSHRLMNAMEN1
SCHEMBL28008405 0.79 TSHR (0.59) MAOBMAOATSHRLMNAMEN1
SCHEMBL2036257 0.79 TSHR (0.59) MAOBMAOATSHRLMNAMEN1
SCHEMBL8260909 0.78 TSHR (0.54) MAOBMAOATSHRLMNAMEN1
SCHEMBL30041959 0.78 TSHR (0.54) MAOBMAOATSHRLMNAMEN1
SCHEMBL3721964 0.78 TSHR (0.57) MAOBMAOATSHRLMNAMEN1
SCHEMBL924777 0.77 TSHR (0.53) MAOBMAOATSHRLMNAMEN1

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
CN-1933826-A Novel pharmaceutical compositions comprising agonists of the thyroid receptor KAROBIO AB (SE) 2007-03-21 CN disclosed