SCHEMBL6820161

SCHEMBL6820161

COC(=O)C(N)CCC(=O)Nc1cc(OC)c2ccccc2c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.55
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TNIK Q9UKE5 1/20 0.41
CDYL Q9Y232 1/20 0.41
MTNR1B P49286 1/20 0.40
THRB P10828 1/20 0.40
MAPT P10636 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
SCHEMBL6820163 1.00 LTA4H (0.55) LTA4HKDM4EALDH1A1NPSR1RXFP1
SCHEMBL7715008 0.91 LTA4H (0.55) LTA4HKDM4EALDH1A1NPSR1RXFP1
SCHEMBL2179155 0.84 KDM4E (0.51) KDM4EALDH1A1NPSR1RXFP1NPC1
SCHEMBL9115646 0.82 TNIK (0.43) LTA4HKDM4EALDH1A1NPSR1RXFP1
SCHEMBL9185732 0.80 ALDH1A1 (0.52) KDM4EALDH1A1NPSR1RXFP1NPC1
SCHEMBL23849151 0.79 LTA4H (0.76) LTA4H
SCHEMBL14544643 0.78 MAPT (0.48) KDM4EALDH1A1NPSR1RXFP1MEN1
Hydrochloric Acid SCHEMBL25181404 0.78 LTA4H (0.74) LTA4H
Benzene SCHEMBL6822148 0.78 MMP2 (0.47) KDM4EALDH1A1NPSR1RXFP1NPC1
SCHEMBL14521459 0.77 MAPT (0.46) KDM4EALDH1A1NPSR1RXFP1NPC1

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-2004020402-A1 SULPHONYLAMINO DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE DE NOVO PHARMACEUTICALS LIMITED (GB) 2004-03-11 WO disclosed