SCHEMBL3938573

SCHEMBL3938573

CC(C)S(=O)(=O)N1CCN(Cc2cc(CC(=O)O)ccc2OCc2ccc(Cl)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 13/20 0.51
▸ PTGDR2 Q9Y5Y4 7/20 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
SCHEMBL3933946 0.89 CCR5 (0.53) CCR5PTGDR2
SCHEMBL3928788 0.87 PTGDR2 (0.63) CCR5PTGDR2
SCHEMBL3931490 0.85 CCR5 (0.51) CCR5PTGDR2
SCHEMBL3939464 0.85 PTGDR2 (0.59) CCR5PTGDR2
SCHEMBL3927277 0.85 PTGDR2 (0.69) CCR5PTGDR2
SCHEMBL3937820 0.84 PTGDR2 (0.58) CCR5PTGDR2
SCHEMBL3930508 0.84 PTGDR2 (0.52) CCR5PTGDR2
SCHEMBL3929256 0.84 PTGDR2 (0.58) CCR5PTGDR2
SCHEMBL3927925 0.84 PTGDR2 (0.72) CCR5PTGDR2
SCHEMBL3930914 0.84 PTGDR2 (0.55) CCR5PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044044-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2009-04-08 — — EP disclosed
WO-2007143745-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2007-12-13 — — WO disclosed
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