SCHEMBL2174482

SCHEMBL2174482

CCS(=O)(=O)c1ccc(Oc2c(C)c(C(CC(=O)O)(C(=O)O)c3cc4ccc(F)cc4c(Oc4ccc(S(C)(=O)=O)cc4F)c3C)cc3ccc(F)cc23)cc1C

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 10/20 0.38
PTGS1 P23219 3/20 0.38
PTGS2 P35354 3/20 0.38
AKR1B1 P15121 1/20 0.35
BRD4 O60885 3/20 0.33
SLC6A4 P31645 1/20 0.33
MAPK14 Q16539 1/20 0.33
LPAR2 Q9HBW0 1/20 0.32

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
SCHEMBL2174478 0.86 PTGDR2 (0.53) PTGDR2
SCHEMBL2172961 0.75 PTGDR2 (0.54) PTGDR2
SCHEMBL2172812 0.74 PTGDR2 (0.64) PTGDR2PTGS1PTGS2
SCHEMBL2172893 0.71 PTGDR2 (0.56) PTGDR2
SCHEMBL2171907 0.71 PTGDR2 (0.47) PTGDR2
SCHEMBL2173455 0.70 PTGDR2 (0.59) PTGDR2
SCHEMBL2173775 0.70 PTGDR2 (0.44) PTGDR2
SCHEMBL2171334 0.70 PTGDR2 (0.54) PTGDR2
SCHEMBL2171442 0.69 PTGDR2 (0.59) PTGDR2
SCHEMBL2172905 0.69 PTGDR2 (0.64) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346819-A1 NAPHTHYLACETIC ACIDS F. Hoffmann-La Roche AG (CH) 2011-07-27 EP disclosed