SCHEMBL5319902

SCHEMBL5319902

O=C(O)C(Oc1ccc(Br)cc1)C(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.43
PTGDR2 Q9Y5Y4 4/20 0.38
ALKBH1 Q13686 6/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
EGLN1 Q9GZT9 6/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL5315020 0.79 LDHA (0.42) LDHAPTGDR2ALKBH1PPARGPPARA
SCHEMBL27685236 0.79 LDHA (0.51) LDHAPTGDR2ALKBH1
SCHEMBL27665788 0.74 HPGDS (0.51) PTGDR2ALKBH1PPARGPPARA
SCHEMBL14495403 0.72 PTGDR2 (0.49) PTGDR2
SCHEMBL5313369 0.71 PTGDR2 (0.74) PTGDR2
SCHEMBL1995517 0.69 ALKBH1 (0.41) ALKBH1EGLN1
SCHEMBL27684819 0.68 HPGDS (0.51) PTGDR2ALKBH1PPARGPPARA
SCHEMBL27665937 0.67 PTGDR2 (0.52) LDHAPTGDR2ALKBH1
SCHEMBL5315782 0.66 PTGDR2 (0.70) PTGDR2
SCHEMBL13603761 0.65 LDHA (1.00) LDHAPPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007062678-A1 PHENOXYACETIC ACID DERIVATIVES AS CRTH2 RECEPTOR LIGANDS 7TM PHARMA A/S (DK) 2007-06-07 WO claimed
WO-2007062678-A1 PHENOXYACETIC ACID DERIVATIVES AS CRTH2 RECEPTOR LIGANDS 7TM PHARMA A/S (DK) 2007-06-07 WO disclosed