SCHEMBL753031

SCHEMBL753031

COC(=O)C(O)=CC(=O)C(=O)c1nc(C)oc1Cc1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
EGLN1 Q9GZT9 2/20 0.37
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL764271 0.91 EGLN1 (0.38) CA12CA1CA2CA9EGLN1
SCHEMBL764272 0.91 EGLN1 (0.38) CA12CA1CA2CA9EGLN1
SCHEMBL16921554 0.90 NPSR1 (0.39) CA12CA1CA2CA9NPSR1
SCHEMBL754010 0.79 NPSR1 (0.47) NPSR1EGLN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL754062 0.78 NPSR1 (0.41) NPSR1EGLN1TP53MAPTTHRB
SCHEMBL764368 0.75 NPSR1 (0.41) NPSR1EGLN1TP53MAPTTHRB
SCHEMBL6810475 0.74 EGLN1 (0.42) NPSR1EGLN1TP53MAPTTHRB
SCHEMBL16921562 0.73 PTGIR (0.39) CA12CA1CA2CA9NPSR1
SCHEMBL18531611 0.73 NPSR1 (0.40) NPSR1EGLN1TP53MAPTTHRB
SCHEMBL16921553 0.73 NPSR1 (0.41) NPSR1EGLN1TP53MAPTTHRB

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
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed