SCHEMBL3928880

SCHEMBL3928880

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

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.72
PKM P14618 1/20 0.54
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 3/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ATM Q13315 1/20 0.53
ALOX15 P16050 1/20 0.53
CCR5 P51681 2/20 0.52
GPR183 P32249 1/20 0.52
LMNA P02545 2/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GAA P10253 1/20 0.51
TDP1 Q9NUW8 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
SCHEMBL3939170 0.92 PTGDR2 (0.61) PTGDR2PKMKDM4EALDH1A1ALOX15
SCHEMBL3928637 0.92 PTGDR2 (0.59) PTGDR2KDM4EALDH1A1CCR5
SCHEMBL3928824 0.91 PTGDR2 (0.59) PTGDR2PKMKDM4EALDH1A1MEN1
SCHEMBL3930143 0.91 PTGDR2 (0.65) PTGDR2PKMKDM4EALDH1A1MEN1
SCHEMBL3928937 0.89 PTGDR2 (0.57) PTGDR2CCR5
SCHEMBL3927273 0.89 CCR5 (0.57) PTGDR2CCR5
SCHEMBL3927267 0.88 PTGDR2 (0.56) PTGDR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL3933237 0.88 CCR5 (0.56) PTGDR2CCR5
SCHEMBL3928766 0.87 PTGDR2 (0.55) PTGDR2PKMKDM4EKMT2ACCR5
SCHEMBL3930008 0.86 FAAH (0.64) PTGDR2KDM4ESMN1; SMN2

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