SCHEMBL16199760

SCHEMBL16199760

CCS(=O)(=O)c1ccc(-c2cc(C(C)(F)F)ccc2O[C@@H](C)C(=O)O)c(Cl)c1

nearest known ligand 0.87

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 18/20 0.87
ABCB11 O95342 1/20 0.47
RORC P51449 1/20 0.41

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
SCHEMBL1753775 0.93 PTGDR2 (1.00) PTGDR2ABCB11
SCHEMBL1753418 0.85 PTGDR2 (0.76) PTGDR2RORC
SCHEMBL1753803 0.82 PTGDR2 (0.81) PTGDR2ABCB11
SCHEMBL1753569 0.82 PTGDR2 (1.00) PTGDR2ABCB11
SCHEMBL1753415 0.82 PTGDR2 (1.00) PTGDR2ABCB11
SCHEMBL1753369 0.80 PTGDR2 (0.77) PTGDR2ABCB11
SCHEMBL1333541 0.77 PTGDR2 (0.71) PTGDR2ABCB11
SCHEMBL3936167 0.77 PTGDR2 (0.71) PTGDR2ABCB11
SCHEMBL1690228 0.76 PTGDR2 (1.00) PTGDR2
SCHEMBL1690289 0.75 PTGDR2 (0.60) PTGDR2ABCB11

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-1611091-B1 Substituted phenylalkanoic acid derivatives and their use for respiratory disease treatment ASTRAZENECA AB (SE) 2014-10-29 EP disclosed