SCHEMBL4052776

SCHEMBL4052776

C=C(OC(=O)N1CCCCC1)c1ccc(-c2cccs2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.50
BCR P11274 4/20 0.50
HDAC1 Q13547 4/20 0.46
HDAC3 O15379 3/20 0.46
HDAC2 Q92769 3/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
GPR119 Q8TDV5 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
KCNH2 Q12809 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
GAA P10253 1/20 0.40

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
SCHEMBL4049840 0.89 HDAC3 (0.47) ABL1BCRHDAC1HDAC3HDAC2
SCHEMBL4051643 0.81 KMT2A (0.60) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL764236 0.78 ABL1 (0.76) ABL1BCRHDAC1HDAC3HDAC2
SCHEMBL10198116 0.76 ABL1 (0.76) ABL1BCRHDAC1HDAC3HDAC2
SCHEMBL4052779 0.74 HDAC2 (0.49) ABL1BCRHDAC1HDAC3HDAC2
SCHEMBL4051880 0.73 KMT2A (0.52) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL8002050 0.70 POLB (0.44) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL4452303 0.70 HTR1A (0.60) ABL1BCRHDAC1HDAC3HDAC2
SCHEMBL13626256 0.70 HTR1A (0.60) ABL1BCRHDAC1HDAC3HDAC2
SCHEMBL27577342 0.69 SMN1; SMN2 (0.44) ABL1BCRHDAC1HDAC3HDAC2

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