SCHEMBL4060039

SCHEMBL4060039

CN(C)C(=O)OC=Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.46
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MGLL Q99685 2/20 0.42
TP53 P04637 1/20 0.42
CA1 P00915 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
LTB4R Q15722 2/20 0.40
CTDSP1 Q9GZU7 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
BCHE P06276 1/20 0.39
TRPM2 O94759 1/20 0.38

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
SCHEMBL14838523 0.77 HDAC2 (0.46) HDAC2HDAC1HDAC6MGLLTP53
SCHEMBL4060030 0.76 HDAC2 (0.49) HDAC2HDAC1HDAC6MGLLMAOA
SCHEMBL9590158 0.75 HDAC2 (0.59) HDAC2HDAC1HDAC6LTB4RTRPM2
SCHEMBL14827292 0.73 MAPT (0.44) HDAC2HDAC1HDAC6MGLLTP53
SCHEMBL14827286 0.73 HDAC2 (0.42) HDAC2HDAC1HDAC6MGLLTP53
SCHEMBL10865255 0.71 CA1 (0.48) HDAC2HDAC1HDAC6MGLLTP53
SCHEMBL7134972 0.70 MGLL (0.44) HDAC2HDAC1HDAC6MGLLTP53
SCHEMBL30738654 0.70 RAB9A (0.73) ALDH1A1BCHE
SCHEMBL5747226 0.70 TP53 (0.48) HDAC2HDAC1HDAC6MGLLTP53
SCHEMBL9877155 0.70 HDAC2 (0.57) HDAC2

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-2009109504-A1 ENOL CARBAMATE DERIVATIVES AS MODULATORS OF FATTY ACID AMIDE HYDROLASE SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2009-09-11 WO disclosed