SCHEMBL4638438

SCHEMBL4638438

CCS(=O)(=O)c1ccc(Oc2c[c]ccc2Cl)c(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.45
BRD4 O60885 1/20 0.40
CCR2 P41597 3/20 0.39
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
RORC P51449 5/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL4638189 0.88 EPAS1 (0.39) PTGDR2BRD4CCR2NR1H2NR1H3
SCHEMBL4637479 0.85 PTGDR2 (0.41) PTGDR2BRD4RORCPOLBL3MBTL1
SCHEMBL4637426 0.84 PTGDR2 (0.42) PTGDR2BRD4RORC
SCHEMBL4638354 0.80 EPAS1 (0.46) RORC
SCHEMBL4637511 0.77 PTGDR2 (0.40) PTGDR2BRD4RORC
SCHEMBL2065425 0.76 PTGDR2 (0.52) PTGDR2RORC
SCHEMBL4638324 0.75 KIF11 (0.43) BRD4
SCHEMBL14632300 0.74 CCR2 (0.60) PTGDR2CCR2POLBL3MBTL1
SCHEMBL4782137 0.73 PTGDR2 (0.40) PTGDR2BRD4POLBL3MBTL1
SCHEMBL4637412 0.72 PTGS2 (0.43) PTGDR2BRD4

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