SCHEMBL3930484

SCHEMBL3930484

Cc1ccc(S(=O)(=O)N2CCN(C(c3cccc(CO)c3)c3ccccc3O)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.47
GAA P10253 4/20 0.46
LMNA P02545 3/20 0.46
KDM4E B2RXH2 2/20 0.44
MAOA P21397 1/20 0.44
HTT P42858 3/20 0.44
STAT1 P42224 2/20 0.44
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
ACHE P22303 1/20 0.41

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
SCHEMBL3928366 0.90 PKM (0.51) PKMGAALMNAKDM4EMAOA
SCHEMBL3927929 0.79 GAA (0.56) PKMGAALMNAKDM4EMAOA
SCHEMBL3925437 0.78 KDM4E (0.51) PKMGAALMNAKDM4EMAOA
SCHEMBL3929258 0.76 STAT1 (0.54) PKMGAAKDM4EMAOAHTT
SCHEMBL3928992 0.75 STAT1 (0.49) PKMGAALMNAKDM4EMAOA
SCHEMBL7098287 0.75 MAOA (0.60) PKMGAALMNAKDM4EMAOA
SCHEMBL3932017 0.73 ALDH1A1 (0.55) PKMGAAKDM4EMAOAHTT
SCHEMBL6480929 0.72 PKM (0.62) PKMGAALMNAKDM4EMAOA
SCHEMBL6491049 0.72 PKM (0.62) PKMGAALMNAKDM4EMAOA
SCHEMBL3925079 0.70 MEN1 (0.64) GAALMNAKDM4EMAOAHTT

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 3 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
WO-2007143745-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2007-12-13 WO disclosed