SCHEMBL4637590

SCHEMBL4637590

CCS(=O)(=O)c1ccc(Oc2c[c]cc(Cl)c2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.46
EPAS1 Q99814 9/20 0.44
BRD4 O60885 3/20 0.39
SOS1 Q07889 2/20 0.39
VEGFA P15692 1/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL4639087 0.87 EPAS1 (0.44) PTGDR2EPAS1SOS1
SCHEMBL4637444 0.87 EPAS1 (0.53) PTGDR2EPAS1BRD4PTGS1PTGS2
SCHEMBL4637581 0.84 SCN9A (0.41) PTGDR2EPAS1
SCHEMBL4639089 0.82 EPAS1 (0.55) EPAS1VEGFA
SCHEMBL4637470 0.81 SCN9A (0.39) EPAS1VEGFA
SCHEMBL4637399 0.81 EPAS1 (0.47) PTGDR2EPAS1BRD4SOS1VEGFA
SCHEMBL4637426 0.79 PTGDR2 (0.42) PTGDR2EPAS1BRD4
SCHEMBL4637496 0.77 PTGDR2 (0.40) PTGDR2EPAS1PTGS1PTGS2
SCHEMBL2066732 0.76 PTGDR2 (0.53) PTGDR2EPAS1
SCHEMBL4638008 0.76 PTGDR2 (0.41) PTGDR2EPAS1BRD4

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-1937632-A1 NOVEL COMPOUNDS Astra Zeneca AB (SE) 2008-07-02 EP claimed
WO-2007039736-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2007-04-12 WO claimed
EP-1937632-A1 NOVEL COMPOUNDS Astra Zeneca AB (SE) 2008-07-02 EP disclosed
WO-2007039736-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2007-04-12 WO disclosed