SCHEMBL9873320

SCHEMBL9873320

CCOC(=O)C(=CNc1ccc(Cl)cc1)C(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.59
NPSR1 Q6W5P4 5/20 0.53
CYP19A1 P11511 1/20 0.52
MAPT P10636 6/20 0.50
GAA P10253 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
HPGD P15428 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
KDM4E B2RXH2 4/20 0.48
RECQL P46063 1/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPY1R P25929 1/20 0.47
NPY2R P49146 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL9874613 0.94 DHODH (0.63) DHODHNPSR1CYP19A1MAPTGAA
SCHEMBL29254508 0.91 DHODH (0.64) DHODHNPSR1MAPTGAATDP1
SCHEMBL10863680 0.87 DHODH (0.77) DHODHNPSR1MAPTGAATDP1
SCHEMBL13885851 0.86 DHODH (0.58) DHODHNPSR1MAPTGAATDP1
SCHEMBL9874767 0.86 DHODH (0.58) DHODHNPSR1CYP19A1MAPTGAA
SCHEMBL3565253 0.86 DHODH (0.58) DHODHNPSR1MAPTGAATDP1
SCHEMBL3565256 0.86 DHODH (0.58) DHODHNPSR1MAPTGAATDP1
SCHEMBL11084961 0.85 DHODH (0.67) DHODHNPSR1MAPTGAATDP1
SCHEMBL29254476 0.82 DHODH (0.57) DHODHNPSR1MAPTGAATDP1
SCHEMBL10474341 0.82 DHODH (0.57) DHODHNPSR1MAPTGAATDP1

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
US-5026711-A Prevention and treatment of cardiovascular disorders and infections states; anxiolytic and anti-allergic agents SANOFI (FR) 1991-06-25 US disclosed