SCHEMBL3928366

SCHEMBL3928366

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

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.51
GAA P10253 3/20 0.51
KDM4E B2RXH2 2/20 0.49
STAT1 P42224 2/20 0.46
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAOA P21397 1/20 0.44
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL3927929 0.90 GAA (0.56) PKMGAAKDM4ESTAT1ALDH1A1
SCHEMBL3930484 0.90 PKM (0.47) PKMGAAKDM4ESTAT1ALDH1A1
SCHEMBL3925437 0.89 KDM4E (0.51) PKMGAAKDM4ESTAT1ALDH1A1
SCHEMBL3932017 0.84 ALDH1A1 (0.55) PKMGAAKDM4ESTAT1ALDH1A1
SCHEMBL3925079 0.83 MEN1 (0.64) GAAKDM4EALDH1A1MEN1KMT2A
SCHEMBL3929258 0.81 STAT1 (0.54) PKMGAAKDM4ESTAT1ALDH1A1
SCHEMBL3936493 0.81 PTGDR2 (0.50) PKMGAAKDM4ESTAT1ALDH1A1
SCHEMBL3930627 0.81 ALDH1A1 (0.55) PKMGAAKDM4ESTAT1ALDH1A1
SCHEMBL3929081 0.81 ALDH1A1 (0.55) PKMGAAKDM4ESTAT1ALDH1A1
SCHEMBL3928992 0.80 STAT1 (0.49) PKMGAAKDM4ESTAT1ALDH1A1

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