SCHEMBL3938546

SCHEMBL3938546

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

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 11/20 0.58
PTGDR2 Q9Y5Y4 1/20 0.51
ALDH1A1 P00352 2/20 0.50
TSHR P16473 2/20 0.48
KDM4E B2RXH2 1/20 0.48
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL3928937 0.91 PTGDR2 (0.57) CCR5PTGDR2
SCHEMBL3938436 0.91 CCR5 (0.54) CCR5PTGDR2ALDH1A1KDM4E
SCHEMBL3927273 0.89 CCR5 (0.57) CCR5PTGDR2
SCHEMBL3931490 0.89 CCR5 (0.51) CCR5PTGDR2
SCHEMBL3928710 0.89 VEGFA (0.55) CCR5PTGDR2
SCHEMBL3933237 0.88 CCR5 (0.56) CCR5PTGDR2
SCHEMBL3939170 0.87 PTGDR2 (0.61) CCR5PTGDR2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL3928637 0.86 PTGDR2 (0.59) CCR5PTGDR2ALDH1A1KDM4E
SCHEMBL3928082 0.85 CCR5 (0.52) CCR5PTGDR2ALDH1A1KDM4E
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 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