SCHEMBL4060030

SCHEMBL4060030

C=C(/C=C/c1ccc(-c2ccccc2)cc1)OC(=O)N(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 3/20 0.49
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
MGLL Q99685 1/20 0.41
LTB4R Q15722 4/20 0.41
TRPM2 O94759 1/20 0.41
BCHE P06276 3/20 0.41
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
GLA P06280 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ACHE P22303 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
HDAC3 O15379 1/20 0.39
TNKS O95271 1/20 0.39
HDAC4 P56524 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39

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
SCHEMBL9590158 0.77 HDAC2 (0.59) HDAC2LTB4RTRPM2HDAC1HDAC6
SCHEMBL4060039 0.76 HDAC2 (0.46) HDAC2MAOAMAOBMGLLLTB4R
SCHEMBL4060036 0.74 ALDH1A1 (0.47)
SCHEMBL7022037 0.73 GLA (0.58) HDAC2MAOAMAOBBCHEHDAC1
SCHEMBL7022031 0.73 GLA (0.58) HDAC2MAOAMAOBBCHEHDAC1
SCHEMBL4051213 0.73 HDAC2 (0.46) HDAC2MGLLLTB4RTRPM2BCHE
SCHEMBL9877155 0.72 HDAC2 (0.57) HDAC2TRPM8
SCHEMBL27483295 0.72 HDAC2 (0.61) HDAC2MAOBMGLLLTB4RTRPM2
SCHEMBL4275887 0.71 HDAC2 (0.65) HDAC2MAOBMGLLLTB4RTRPM2
SCHEMBL4054009 0.71 GLA (0.77) HDAC2MGLLLTB4RTRPM2HDAC1

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 2 patents. 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
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