SCHEMBL4052576

SCHEMBL4052576

C=C(OC(=O)N(C)c1ccccc1)c1cccc(-c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.45
HSD17B2 P37059 2/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GFER P55789 1/20 0.43
HDAC8 Q9BY41 1/20 0.42
HSD17B1 P14061 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
DHODH Q02127 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
SCHEMBL4058318 0.87 SMN1; SMN2 (0.49) HSD17B2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4055614 0.87 KMO (0.49) KMOALDH1A1HDAC8MAPTTDP1
SCHEMBL5649351 0.74 RAB9A (0.57) HSD17B2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4060036 0.73 ALDH1A1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL1683356 0.72 KMT2A (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
Trimethylammonium SCHEMBL27979987 0.71 DHODH (0.62) KMOHDAC8L3MBTL1MAPTTDP1
SCHEMBL8045691 0.70 RAB9A (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
Trimethylammonium SCHEMBL27623058 0.70 KMO (0.81) KMOHDAC8LMNAGAAERCC5
SCHEMBL23064984 0.69 RAB9A (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL1135975 0.69 ERN1 (0.60) KMOHSD17B2SMN1; SMN2HDAC8HSD17B1

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