SCHEMBL5311183

SCHEMBL5311183

Cc1c(N[S+]([O-])c2ccc(Cl)c(Cl)c2)c2cc(Cl)ccc2n1CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.49
AKR1B1 P15121 4/20 0.44
CYP2C9 P11712 1/20 0.43
PTGS1 P23219 1/20 0.41

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
SCHEMBL5310737 0.91 PTGDR2 (0.56) PTGDR2AKR1B1CYP2C9PTGS1
SCHEMBL5311148 0.84 PTGDR2 (0.50) PTGDR2AKR1B1
SCHEMBL5311186 0.79 PTGDR2 (0.53) PTGDR2AKR1B1CYP2C9
SCHEMBL5310742 0.73 PTGDR2 (0.60) PTGDR2AKR1B1CYP2C9
SCHEMBL5313791 0.71 PTGDR2 (0.59) PTGDR2AKR1B1CYP2C9
SCHEMBL5311153 0.71 PTGDR2 (0.61) PTGDR2AKR1B1
SCHEMBL317297 0.71 PTGDR2 (0.63) PTGDR2AKR1B1CYP2C9PTGS1
SCHEMBL5313741 0.70 PTGDR2 (0.54) PTGDR2AKR1B1CYP2C9PTGS1
SCHEMBL5311647 0.70 PTGDR2 (0.62) PTGDR2AKR1B1
SCHEMBL1387138 0.70 PTGDR2 (0.61) PTGDR2AKR1B1CYP2C9PTGS1

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-2007045867-A1 3 -AMINOINDOLE COMPOUNDS AS CRTH2 RECEPTOR LIGANDS ARGENTA DISCOVERY LIMITED (GB) 2007-04-26 WO disclosed