SCHEMBL9826867

SCHEMBL9826867

COc1cc(O)c(O)c2cnccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.46
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
EP300 Q09472 2/20 0.40
HIF1A Q16665 2/20 0.40
EPAS1 Q99814 1/20 0.40
KAT2B Q92831 1/20 0.40
KAT8 Q9H7Z6 1/20 0.40
RPS6KA3 P51812 2/20 0.38
CYP19A1 P11511 1/20 0.38
ERN1 O75460 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
CYP3A4 P08684 4/20 0.38
CYP1A2 P05177 2/20 0.37
CASP1 P29466 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL9826844 0.93 MAOA (0.46) MAOACA12CA1CA2CA9
SCHEMBL9827318 0.77 EP300 (0.52) EP300KAT2BKAT8RPS6KA3ERN1
SCHEMBL17193017 0.77 HIPK2 (0.44) EP300HIF1AKAT2BKAT8RPS6KA3
SCHEMBL28171176 0.76 ERN1 (0.51) MAOACA12CA1CA2CA9
SCHEMBL7622167 0.76 EP300 (0.56) CA12CA1CA2CA9EP300
SCHEMBL12426316 0.75 MAOA (0.52) MAOACA12CA1CA2CA9
SCHEMBL9827975 0.75 MAOA (0.62) MAOACA12CA1CA2CA9
SCHEMBL9828244 0.74 EP300 (0.47) EP300KAT2BKAT8RPS6KA3ERN1
SCHEMBL17193033 0.73 ADORA3 (0.44) EP300HIF1AKAT2BKAT8RPS6KA3
SCHEMBL9826933 0.72 MAOA (0.63) MAOACA12CA1CA2CA9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0182210-A2 Cephalosporin derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1986-05-28 EP claimed
EP-0182210-B1 CEPHALOSPORIN DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-02-27 EP disclosed
US-4742053-A ANTIBIOTICS BANYU PHARMACEUTICAL CO., LTD. (JP) 1988-05-03 US disclosed
EP-0182210-A2 Cephalosporin derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1986-05-28 EP disclosed