SCHEMBL3717855

SCHEMBL3717855

Cc1cc(C(c2c(C)n(CC(=O)O)c3ccc(F)cc23)S(=O)(=O)c2ccccc2)sn1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.52
PTGDR Q13258 3/20 0.44
PTGIR P43119 1/20 0.44
CYP2C9 P11712 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
SCHEMBL3724053 0.91 ALDH1A1 (0.45) PTGDR2PTGDRPTGIRCYP2C9
SCHEMBL1465375 0.91 PTGDR2 (0.50) PTGDR2PTGDRPTGIRCYP2C9
SCHEMBL1467731 0.85 PTGDR2 (0.52) PTGDR2PTGDRPTGIRCYP2C9
SCHEMBL3714820 0.85 PTGDR2 (0.50) PTGDR2PTGDRPTGIRCYP2C9
SCHEMBL1466409 0.85 PTGDR2 (0.56) PTGDR2PTGDRPTGIRCYP2C9
SCHEMBL3719025 0.84 PTGDR2 (0.51) PTGDR2PTGDRPTGIRCYP2C9
SCHEMBL1466273 0.84 PTGDR2 (0.54) PTGDR2PTGDRCYP2C9
SCHEMBL1466781 0.83 ALDH1A1 (0.44) PTGDR2PTGDR
SCHEMBL1603176 0.82 PTGDR2 (0.56) PTGDR2PTGDRPTGIRCYP2C9
SCHEMBL1599312 0.81 PTGDR2 (0.56) PTGDR2PTGDRPTGIRCYP2C9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010142934-A1 INDOLE DERIVATIVES AS LIGANDS OF CRTH2 RECEPTORS PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2010-12-16 WO claimed
WO-2010142934-A1 INDOLE DERIVATIVES AS LIGANDS OF CRTH2 RECEPTORS PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2010-12-16 WO disclosed
WO-2010142934-A1 INDOLE DERIVATIVES AS LIGANDS OF CRTH2 RECEPTORS PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2010-12-16 WO disclosed