SCHEMBL4051880

SCHEMBL4051880

C=C(OC(=O)N1CCCCC1)c1cccc(-c2ccccc2)c1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.52
MEN1 O00255 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
POLB P06746 1/20 0.49
HPGD P15428 4/20 0.47
NPC1 O15118 3/20 0.47
ALDH1A1 P00352 3/20 0.47
RAB9A P51151 2/20 0.47
MAPK1 P28482 2/20 0.47
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
EPHX1 P07099 1/20 0.44
KMO O15229 1/20 0.44
ERN1 O75460 1/20 0.43
USP30 Q70CQ3 1/20 0.43
SLC6A7 Q99884 1/20 0.42

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
SCHEMBL8002050 0.88 POLB (0.44) KMT2AMEN1SMN1; SMN2LMNANPSR1
SCHEMBL4051643 0.87 KMT2A (0.60) KMT2AMEN1SMN1; SMN2LMNANPSR1
SCHEMBL7992120 0.87 ADORA2A (0.56) KMT2AMEN1SMN1; SMN2LMNANPSR1
SCHEMBL4050785 0.87 EPHX1 (0.61) KMT2AMEN1SMN1; SMN2LMNAHPGD
SCHEMBL4049840 0.83 HDAC3 (0.47) SMN1; SMN2HPGDNPC1ALDH1A1RAB9A
SCHEMBL2631520 0.79 HPGD (0.50) KMT2AMEN1SMN1; SMN2LMNANPSR1
SCHEMBL23440313 0.78 HPGD (0.71) KMT2AMEN1SMN1; SMN2LMNAPOLB
SCHEMBL18397598 0.78 HPGD (0.71) KMT2AMEN1SMN1; SMN2LMNAPOLB
SCHEMBL19070281 0.78 HPGD (0.48) KMT2AMEN1SMN1; SMN2LMNANPSR1
SCHEMBL29699833 0.78 HPGD (0.71) KMT2AMEN1SMN1; SMN2LMNAPOLB

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