SCHEMBL2579398

SCHEMBL2579398

Cc1c(Cc2ccc(C(=O)C(C)(C)C)cc2)c(OC(F)F)nc2c(F)ccc(O)c12

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.34
PTGES O14684 1/20 0.30

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
SCHEMBL2579396 0.90 PTGDR2 (0.34) PTGDR2PTGES
SCHEMBL2572394 0.86 PTGDR2 (0.48) PTGDR2
SCHEMBL2570601 0.84 PTGDR2 (0.40) PTGDR2PTGES
SCHEMBL534061 0.82 AR (0.36) PTGDR2
SCHEMBL2572541 0.76 PTGDR2 (0.39) PTGDR2
SCHEMBL2572975 0.75 PTGDR2 (0.38) PTGDR2
SCHEMBL2575021 0.75 PTGDR2 (0.33) PTGDR2
SCHEMBL14046780 0.73 PTGDR2 (0.49) PTGDR2
SCHEMBL2577516 0.73 PTGDR2 (0.37) PTGDR2
SCHEMBL3780664 0.73 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139881-B1 QUINOLINES AND THEIR THERAPEUTIC USE PULMAGEN THERAPEUTICS ASTHMA LTD (GB) 2011-11-09 EP claimed