SCHEMBL3928992

SCHEMBL3928992

COC(=O)Cc1ccc(O)c(C(c2ccccc2)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STAT1 P42224 2/20 0.49
RXFP1 Q9HBX9 1/20 0.48
PKM P14618 5/20 0.47
GAA P10253 1/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.45
MAOA P21397 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL3925437 0.91 KDM4E (0.51) STAT1RXFP1PKMGAAALDH1A1
SCHEMBL3929258 0.87 STAT1 (0.54) STAT1RXFP1PKMGAAALDH1A1
SCHEMBL3936493 0.83 PTGDR2 (0.50) STAT1PKMGAAALDH1A1KDM4E
SCHEMBL3933976 0.81 MEN1 (0.58) STAT1RXFP1PKMALDH1A1KDM4E
SCHEMBL3928366 0.80 PKM (0.51) STAT1PKMGAAALDH1A1KDM4E
SCHEMBL3927929 0.77 GAA (0.56) STAT1RXFP1PKMGAAALDH1A1
SCHEMBL3930484 0.75 PKM (0.47) STAT1PKMGAAALDH1A1KDM4E
SCHEMBL4007144 0.74 PTGDR2 (0.50) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL4009087 0.73 CYP3A4 (0.55) STAT1PKMGAAALDH1A1KDM4E
SCHEMBL3928968 0.73 CYP3A4 (0.49) RXFP1ALDH1A1KDM4EMEN1KMT2A

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