SCHEMBL4956591

SCHEMBL4956591

Cc1c(-c2nn(Oc3ccc(Cl)cc3)c(=O)c3ccccc23)c2cc(Cl)ccc2n1CC(=O)O

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.73
PTGS1 P23219 1/20 0.45
CYP2C9 P11712 1/20 0.44
PTGDR Q13258 1/20 0.44

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
SCHEMBL1757334 0.85 PTGDR2 (0.77) PTGDR2PTGS1CYP2C9PTGDR
SCHEMBL2208147 0.84 PTGDR2 (1.00) PTGDR2PTGS1
SCHEMBL1757750 0.83 PTGDR2 (0.94) PTGDR2CYP2C9
SCHEMBL1757438 0.83 PTGDR2 (0.84) PTGDR2PTGS1CYP2C9PTGDR
SCHEMBL1757500 0.82 PTGDR2 (0.73) PTGDR2PTGS1CYP2C9PTGDR
SCHEMBL2206147 0.82 PTGDR2 (1.00) PTGDR2
SCHEMBL1757801 0.81 PTGDR2 (0.81) PTGDR2PTGS1
SCHEMBL1757810 0.81 PTGDR2 (0.95) PTGDR2PTGS1
SCHEMBL1757445 0.81 PTGDR2 (0.77) PTGDR2PTGS1
SCHEMBL1757969 0.80 PTGDR2 (0.78) 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
US-7405215-B2 Indole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH (US) 2008-07-29 US claimed