SCHEMBL3928972

SCHEMBL3928972

O=C(O)Cc1ccc(OCc2ccc(Cl)cc2)c(CN2CCOCC2)c1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 13/20 0.69
▸ ALDH1A1 P00352 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ PTGER1 P34995 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ HIF1A Q16665 1/20 0.52
▸ RAB9A P51151 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.49
▸ HCRTR1 O43613 1/20 0.49
▸ HCRTR2 O43614 1/20 0.49

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
SCHEMBL3934113 0.89 CCR5 (0.66) CCR5PTGER1
SCHEMBL3927295 0.89 CCR5 (0.66) CCR5ALDH1A1MAPTPTGER1KDM4E
SCHEMBL3928637 0.88 PTGDR2 (0.59) CCR5ALDH1A1PTGER1KDM4E
SCHEMBL3936203 0.87 CCR5 (0.57) CCR5
SCHEMBL3927273 0.87 CCR5 (0.57) CCR5
SCHEMBL3928105 0.86 CCR5 (0.72) CCR5RAB9A
SCHEMBL4012562 0.86 CCR5 (0.56) CCR5
SCHEMBL3933237 0.86 CCR5 (0.56) CCR5
SCHEMBL3932052 0.85 CCR5 (0.55) CCR5
SCHEMBL3928433 0.85 MEN1 (0.56) 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 5 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
WO-2007143745-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2007-12-13 — — WO disclosed
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