SCHEMBL12433372

SCHEMBL12433372

CCc1nn(Cc2ccc([S+]([O-])Cc3ccccc3)cc2)c(CC)c1CC=O

nearest known ligand 0.50

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.50

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
SCHEMBL12433370 0.87 PTGDR2 (0.52) PTGDR2
SCHEMBL10143312 0.85 PTGDR2 (0.66) PTGDR2
SCHEMBL10143306 0.73 PTGDR2 (0.68) PTGDR2
SCHEMBL3317542 0.70 PTGDR2 (0.48) PTGDR2
SCHEMBL3320198 0.69 PTGDR2 (0.36) PTGDR2
SCHEMBL12433371 0.67 PTGDR2 (0.48) PTGDR2
SCHEMBL18403991 0.66 PTGDR2 (0.77) PTGDR2
SCHEMBL23402702 0.66 PTGDR2 (0.51) PTGDR2
SCHEMBL28235222 0.64 KMT2A (0.43) PTGDR2
SCHEMBL18404083 0.63 PTGDR2 (0.69) 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
WO-2011092140-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 WO disclosed