SCHEMBL8515546

SCHEMBL8515546

Cc1nn(Cc2cccc(NC(=O)c3ccc(C(F)(F)F)cc3)c2)c(C)c1CC(=O)O

nearest known ligand 0.84

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.84

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
SCHEMBL10174009 0.92 PTGDR2 (1.00) PTGDR2
SCHEMBL9882808 0.88 PTGDR2 (0.67) PTGDR2
SCHEMBL509523 0.88 PTGDR2 (1.00) PTGDR2
SCHEMBL8511897 0.86 PTGDR2 (0.81) PTGDR2
SCHEMBL10142885 0.85 PTGDR2 (1.00) PTGDR2
SCHEMBL508779 0.85 PTGDR2 (1.00) PTGDR2
SCHEMBL10142959 0.84 PTGDR2 (1.00) PTGDR2
SCHEMBL10142911 0.83 PTGDR2 (1.00) PTGDR2
SCHEMBL10174714 0.81 PTGDR2 (1.00) PTGDR2
SCHEMBL8515497 0.81 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2457900-A1 New pyrazole derivatives having CRTh2 antagonistic behaviour Almirall, S.A. (ES) 2012-05-30 EP claimed
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