SCHEMBL28790069

SCHEMBL28790069

CCS(=O)(=O)c1ccc(Cc2c(C)c(COC(C)=O)cc3ccc(F)cc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 18/20 0.40
PTGS2 P35354 1/20 0.39
RORC P51449 1/20 0.38

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
SCHEMBL27823507 0.91 PTGDR2 (0.50) PTGDR2PTGS2
SCHEMBL27842556 0.87 KDM4E (0.43) PTGDR2PTGS2
SCHEMBL27823500 0.87 PLA2G2A (0.38) PTGDR2PTGS2
SCHEMBL710060 0.85 PTGDR2 (0.42) PTGDR2PTGS2RORC
SCHEMBL708692 0.85 PTGDR2 (0.57) PTGDR2
SCHEMBL709952 0.84 PTGDR2 (0.46) PTGDR2RORC
SCHEMBL27823509 0.84 PTGDR2 (0.42) PTGDR2PTGS2RORC
SCHEMBL708483 0.83 PTGDR2 (0.40) PTGDR2PTGS2RORC
SCHEMBL709438 0.82 PLA2G2A (0.44) PTGDR2PTGS2RORC
SCHEMBL27842441 0.81 PLA2G2A (0.40) 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
CN-102216249-A Naphthylacetic acids HOFFMANN LA ROCHE 2011-10-12 CN disclosed