SCHEMBL4049840

SCHEMBL4049840

C=C(OC(=O)N1CCCCC1)c1cccc(-c2cccs2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.47
HDAC1 Q13547 3/20 0.47
HDAC2 Q92769 3/20 0.47
RHOA P61586 1/20 0.46
ABL1 P00519 4/20 0.44
BCR P11274 4/20 0.44
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GPR119 Q8TDV5 1/20 0.41
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
HTR2A P28223 2/20 0.40
KAT6A Q92794 2/20 0.40
HTR1A P08908 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CCKAR P32238 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
SCHEMBL4052776 0.89 ABL1 (0.50) HDAC3HDAC1HDAC2ABL1BCR
SCHEMBL4051880 0.83 KMT2A (0.52) NPC1ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL8002050 0.80 POLB (0.44) NPC1ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL13626256 0.79 HTR1A (0.60) HDAC3HDAC1HDAC2RHOAABL1
SCHEMBL4452303 0.79 HTR1A (0.60) HDAC3HDAC1HDAC2RHOAABL1
SCHEMBL7992120 0.79 ADORA2A (0.56) NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL4049846 0.74 HDAC2 (0.46) HDAC3HDAC1HDAC2RHOAABL1
SCHEMBL4051643 0.73 KMT2A (0.60) NPC1ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL4326042 0.71 HDAC3 (0.43) HDAC3HDAC1HDAC2RHOAABL1
SCHEMBL4050785 0.71 EPHX1 (0.61) NPC1TP53HPGDRAB9ASMN1; SMN2

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