SCHEMBL2169900

SCHEMBL2169900

O=C(O)Cc1cc(C(=O)c2ccc(S(=O)(=O)N3CCN(C(=O)O)CC3)cc2)c2cc(F)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 15/20 0.56
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
USP2 O75604 1/20 0.42

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
SCHEMBL709881 0.91 PTGDR2 (0.58) PTGDR2USP2
SCHEMBL709895 0.90 PTGDR2 (0.58) PTGDR2MEN1KMT2A
SCHEMBL708235 0.89 PTGDR2 (0.56) PTGDR2MEN1KMT2AUSP2
SCHEMBL711593 0.89 PTGDR2 (0.56) PTGDR2
SCHEMBL710467 0.89 PTGDR2 (0.56) PTGDR2
SCHEMBL716116 0.88 PTGDR2 (0.52) PTGDR2USP2
SCHEMBL709999 0.86 PTGDR2 (0.56) PTGDR2
SCHEMBL27823476 0.84 PTGDR2 (0.49) PTGDR2
SCHEMBL710348 0.82 USP2 (0.55) PTGDR2MEN1KMT2AUSP2
SCHEMBL709910 0.81 PTGDR2 (0.54) PTGDR2

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-2346807-A1 NAPHTHYLACETIC ACIDS F. Hoffmann-La Roche AG (CH) 2011-07-27 EP claimed
WO-2010055005-A1 NAPHTHYLACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 WO claimed
EP-2346807-A1 NAPHTHYLACETIC ACIDS F. Hoffmann-La Roche AG (CH) 2011-07-27 EP disclosed
WO-2010055005-A1 NAPHTHYLACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 WO disclosed