SCHEMBL8516564

SCHEMBL8516564

Cc1nn(Cc2ccc(C(=O)O)cc2)c(C)c1CC(=O)OC(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.62

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
SCHEMBL8511075 0.89 PTGDR2 (0.60) PTGDR2
SCHEMBL12825706 0.87 PTGDR2 (0.60) PTGDR2
SCHEMBL2311866 0.87 PTGDR2 (0.60) PTGDR2
SCHEMBL508552 0.86 PTGDR2 (0.58) PTGDR2
SCHEMBL9608952 0.85 PTGDR2 (0.58) PTGDR2
SCHEMBL9609116 0.84 PTGDR2 (0.71) PTGDR2
SCHEMBL12825841 0.84 PTGDR2 (0.57) PTGDR2
SCHEMBL508498 0.83 PTGDR2 (0.56) PTGDR2
SCHEMBL508865 0.79 PTGDR2 (0.56) PTGDR2
SCHEMBL12434753 0.76 PTGDR2 (1.00) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012069175-A1 NEW PYRAZOLE DERIVATIVES HAVING CRTH2 ANTAGONISTIC BEHAVIOUR ALMIRALL, S.A. (ES) 2012-05-31 WO disclosed
WO-2012069175-A1 NEW PYRAZOLE DERIVATIVES HAVING CRTH2 ANTAGONISTIC BEHAVIOUR ALMIRALL, S.A. (ES) 2012-05-31 WO disclosed
EP-2457900-A1 New pyrazole derivatives having CRTh2 antagonistic behaviour Almirall, S.A. (ES) 2012-05-30 EP disclosed
EP-2457900-A1 New pyrazole derivatives having CRTh2 antagonistic behaviour Almirall, S.A. (ES) 2012-05-30 EP disclosed