SCHEMBL13540752

SCHEMBL13540752

CCC(C)(N)CC(C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.41
CYP1A2 P05177 2/20 0.37
ENPEP Q07075 2/20 0.36
ACE2 Q9BYF1 1/20 0.34
LTA4H P09960 1/20 0.33
FOLH1 Q04609 2/20 0.32
NAALAD2 Q9Y3Q0 2/20 0.32
ALDH1A1 P00352 2/20 0.32
BLM P54132 1/20 0.32
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC7A5 Q01650 2/20 0.32
MAPT P10636 1/20 0.32
PTGS1 P23219 1/20 0.32

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
SCHEMBL20446853 0.81 GABRR1 (0.40) GABRR1CYP1A2ENPEPLTA4HFOLH1
SCHEMBL25660925 0.79 GABRR1 (0.46) GABRR1CYP1A2ENPEPLTA4HFOLH1
SCHEMBL10879775 0.79 GABRR1 (0.46) GABRR1CYP1A2ENPEPLTA4HFOLH1
SCHEMBL2629341 0.77 GABRR1 (0.39) GABRR1CYP1A2ENPEPACE2FOLH1
SCHEMBL10047547 0.77 GABRR1 (0.39) GABRR1CYP1A2ENPEPACE2FOLH1
SCHEMBL1301353 0.77 CYP1A2 (0.48) GABRR1CYP1A2ENPEPACE2LTA4H
SCHEMBL10443300 0.76 GABRR1 (0.43) GABRR1CYP1A2ENPEPLTA4HFOLH1
SCHEMBL1300782 0.76 GABRR1 (0.43) GABRR1CYP1A2ENPEPLTA4HFOLH1
SCHEMBL10498366 0.76 GABRR1 (0.43) GABRR1CYP1A2ENPEPLTA4HFOLH1
SCHEMBL17198278 0.76 GABRR1 (0.38) GABRR1CYP1A2ENPEPACE2FOLH1

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
EP-2147684-A1 Diagnostic Agents Selective Against Metalloproteases Bracco Imaging S.p.A (IT) 2010-01-27 EP disclosed