SCHEMBL13356129

SCHEMBL13356129

C=S(=O)(CC)c1ccc(Oc2cc(CC(=O)O)cc3cc(F)ccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 13/20 0.42
NR3C1 P04150 6/20 0.40
PTGDR Q13258 1/20 0.40
SLC6A4 P31645 1/20 0.37

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
SCHEMBL2172667 0.89 PTGDR2 (0.43) PTGDR2NR3C1PTGDRSLC6A4
SCHEMBL2172587 0.82 PTGDR2 (0.48) PTGDR2PTGDR
SCHEMBL2176532 0.81 PTGDR2 (0.54) PTGDR2PTGDRSLC6A4
SCHEMBL2171562 0.79 PTGDR2 (0.46) PTGDR2PTGDR
SCHEMBL2171558 0.78 PTGDR2 (0.47) PTGDR2PTGDR
SCHEMBL2172532 0.75 PTGDR2 (0.51) PTGDR2
SCHEMBL2172254 0.73 AKR1B1 (0.43) PTGDR2
SCHEMBL2171785 0.73 CA5A (0.44) PTGDR2NR3C1
SCHEMBL2175000 0.72 PTGDR2 (0.48) PTGDR2
SCHEMBL2174278 0.72 PTGDR2 (0.44) PTGDR2NR3C1

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
WO-2010055004-A1 NAPHTHYLACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 WO disclosed