SCHEMBL3928637

SCHEMBL3928637

O=C(O)Cc1ccc(OCc2ccc(Cl)cc2)c(CN2CCN(Cc3ccccc3)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.59
CCR5 P51681 12/20 0.58
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
SIGMAR1 Q99720 1/20 0.51
PTGER1 P34995 1/20 0.51

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
SCHEMBL3928880 0.92 PTGDR2 (0.72) PTGDR2CCR5KDM4EALDH1A1
SCHEMBL3928937 0.91 PTGDR2 (0.57) PTGDR2CCR5
SCHEMBL3927273 0.90 CCR5 (0.57) PTGDR2CCR5
SCHEMBL3934113 0.90 CCR5 (0.66) CCR5PTGER1
SCHEMBL3927267 0.90 PTGDR2 (0.56) PTGDR2CCR5KDM4EALDH1A1
SCHEMBL3928362 0.89 CCR5 (0.55) PTGDR2CCR5KDM4EALDH1A1PTGER1
SCHEMBL3927925 0.89 PTGDR2 (0.72) PTGDR2CCR5KDM4EALDH1A1
SCHEMBL3933237 0.89 CCR5 (0.56) PTGDR2CCR5
SCHEMBL3928766 0.88 PTGDR2 (0.55) PTGDR2CCR5KDM4EPTGER1
SCHEMBL3927277 0.88 PTGDR2 (0.69) PTGDR2CCR5KDM4EALDH1A1

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 4 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
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