SCHEMBL3928082

SCHEMBL3928082

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

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 17/20 0.52
PTGDR2 Q9Y5Y4 2/20 0.50
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 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
SCHEMBL3933237 0.91 CCR5 (0.56) CCR5PTGDR2
SCHEMBL3938436 0.90 CCR5 (0.54) CCR5PTGDR2KDM4EALDH1A1
SCHEMBL3927273 0.88 CCR5 (0.57) CCR5PTGDR2
SCHEMBL3938546 0.85 CCR5 (0.58) CCR5PTGDR2KDM4EALDH1A1
SCHEMBL3928637 0.85 PTGDR2 (0.59) CCR5PTGDR2KDM4EALDH1A1
SCHEMBL3928824 0.84 PTGDR2 (0.59) CCR5PTGDR2KDM4EALDH1A1
SCHEMBL3939170 0.84 PTGDR2 (0.61) CCR5PTGDR2KDM4EALDH1A1
SCHEMBL3931490 0.84 CCR5 (0.51) CCR5PTGDR2
SCHEMBL3928710 0.84 VEGFA (0.55) CCR5PTGDR2
SCHEMBL3934113 0.84 CCR5 (0.66) CCR5

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 claimed
WO-2007143745-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2007-12-13 WO claimed