SCHEMBL3929258

SCHEMBL3929258

COC(=O)Cc1cccc(C(c2ccccc2)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STAT1 P42224 2/20 0.54
RXFP1 Q9HBX9 1/20 0.53
PKM P14618 3/20 0.53
GAA P10253 2/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAOA P21397 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.46
CTSG P08311 1/20 0.46
CMA1 P23946 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL3933976 0.94 MEN1 (0.58) STAT1RXFP1PKMMEN1KMT2A
SCHEMBL3927929 0.90 GAA (0.56) STAT1RXFP1PKMGAAMEN1
SCHEMBL3928992 0.87 STAT1 (0.49) STAT1RXFP1PKMGAAMEN1
SCHEMBL3928968 0.86 CYP3A4 (0.49) RXFP1MEN1KMT2AALDH1A1KDM4E
SCHEMBL3932017 0.84 ALDH1A1 (0.55) STAT1PKMGAAMEN1KMT2A
SCHEMBL3925079 0.82 MEN1 (0.64) RXFP1GAAMEN1KMT2AALDH1A1
SCHEMBL3928366 0.81 PKM (0.51) STAT1PKMGAAMEN1KMT2A
SCHEMBL3929081 0.80 ALDH1A1 (0.55) STAT1RXFP1PKMGAAMEN1
SCHEMBL3930627 0.80 ALDH1A1 (0.55) STAT1RXFP1PKMGAAMEN1
SCHEMBL5795313 0.79 MEN1 (0.69) RXFP1PKMGAAMEN1KMT2A

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