SCHEMBL3930508

SCHEMBL3930508

CCCCS(=O)(=O)N1CCN(Cc2cc(CC(=O)O)ccc2OCc2ccc(Cl)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 6/20 0.52
▸ CCR5 P51681 12/20 0.49
▸ KDM4E B2RXH2 2/20 0.44
▸ POLB P06746 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
SCHEMBL3927913 0.91 CCR5 (0.48) PTGDR2CCR5KDM4EPOLB
SCHEMBL3928917 0.88 PTGDR2 (0.59) PTGDR2CCR5KDM4E
SCHEMBL3933946 0.87 CCR5 (0.53) PTGDR2CCR5KDM4E
SCHEMBL3927925 0.85 PTGDR2 (0.72) PTGDR2CCR5KDM4E
SCHEMBL3938573 0.84 CCR5 (0.51) PTGDR2CCR5
SCHEMBL3928788 0.84 PTGDR2 (0.63) PTGDR2CCR5POLB
SCHEMBL3929256 0.84 PTGDR2 (0.58) PTGDR2CCR5POLB
SCHEMBL3927277 0.83 PTGDR2 (0.69) PTGDR2CCR5KDM4E
SCHEMBL3939464 0.83 PTGDR2 (0.59) PTGDR2CCR5
SCHEMBL3937820 0.82 PTGDR2 (0.58) PTGDR2CCR5KDM4EPOLB

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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