SCHEMBL7992120

SCHEMBL7992120

C=C(OC(=O)N1CCCCC1)c1cccc(-c2cccc(OC(=O)N3CCCCC3)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.56
ADORA1 P30542 1/20 0.56
EPHX1 P07099 1/20 0.52
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TSHR P16473 1/20 0.51
GAA P10253 1/20 0.50
MAPT P10636 2/20 0.49
HTT P42858 1/20 0.49
POLB P06746 2/20 0.49
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL4051880 0.87 KMT2A (0.52) ADORA2AADORA1EPHX1KMT2AMEN1
SCHEMBL8002050 0.84 POLB (0.44) ADORA2AADORA1KMT2AMEN1SMN1; SMN2
SCHEMBL4049840 0.79 HDAC3 (0.47) SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL4050785 0.75 EPHX1 (0.61) ADORA2AADORA1EPHX1KMT2AMEN1
SCHEMBL4051643 0.75 KMT2A (0.60) KMT2AMEN1SMN1; SMN2LMNANPSR1
SCHEMBL7383605 0.73 TSHR (0.59) ADORA2AADORA1EPHX1KMT2AMEN1
SCHEMBL28863714 0.72 GAA (0.68) ADORA2AADORA1KMT2AMEN1SMN1; SMN2
SCHEMBL23850471 0.71 TSHR (0.53) ADORA2AADORA1EPHX1KMT2AMEN1
SCHEMBL11480252 0.70 ALDH1A1 (0.81) ADORA2AADORA1KMT2AMEN1SMN1; SMN2
SCHEMBL6882525 0.70 ALDH1A1 (0.81) ADORA2AADORA1KMT2AMEN1SMN1; 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 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