SCHEMBL12433358

SCHEMBL12433358

Cc1nn(Cc2ccc(NC(=O)c3ccc(Br)cc3Cl)cc2)c(C)c1CC(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 1.00

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
SCHEMBL8511840 0.91 PTGDR2 (1.00) PTGDR2
SCHEMBL8512695 0.90 PTGDR2 (1.00) PTGDR2
SCHEMBL12433356 0.86 PTGDR2 (1.00) PTGDR2
SCHEMBL8515833 0.85 PTGDR2 (1.00) PTGDR2
SCHEMBL8512950 0.84 PTGDR2 (1.00) PTGDR2
SCHEMBL8515349 0.83 PTGDR2 (1.00) PTGDR2
SCHEMBL12434113 0.83 PTGDR2 (1.00) PTGDR2
SCHEMBL8514356 0.83 PTGDR2 (0.89) PTGDR2
SCHEMBL8511216 0.83 PTGDR2 (1.00) PTGDR2
SCHEMBL8511960 0.83 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
US-8791272-B2 Pyrazole compounds as CRTH2 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-29 US claimed
EP-2528901-B9 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2017-01-25 EP disclosed
EP-2528901-B1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2015-05-27 EP disclosed
WO-2014079805-A1 PYRAZOLE COMPOUNDS FOR TREATING HAIRLOSS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-30 WO disclosed
WO-2011092140-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 WO disclosed