SCHEMBL3932017

SCHEMBL3932017

Cc1ccc(C(c2cccc(CC(=O)O)c2)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
STAT1 P42224 2/20 0.55
PTGDR2 Q9Y5Y4 1/20 0.51
KDM4E B2RXH2 2/20 0.50
NAMPT P43490 1/20 0.50
PKM P14618 3/20 0.49
GAA P10253 2/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAOA P21397 1/20 0.47
HTT P42858 1/20 0.45
TP53 P04637 1/20 0.44

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 0.93 GAA (0.56) ALDH1A1STAT1PTGDR2KDM4EPKM
SCHEMBL3930627 0.93 ALDH1A1 (0.55) ALDH1A1STAT1PTGDR2KDM4ENAMPT
SCHEMBL3929081 0.93 ALDH1A1 (0.55) ALDH1A1STAT1PTGDR2KDM4ENAMPT
SCHEMBL3927533 0.91 CYP3A4 (0.52) ALDH1A1PTGDR2KDM4ENAMPTGAA
SCHEMBL5745578 0.89 KMT2A (0.57) ALDH1A1PTGDR2KDM4ENAMPTPKM
SCHEMBL3925079 0.86 MEN1 (0.64) ALDH1A1PTGDR2KDM4EGAAMEN1
SCHEMBL3936493 0.85 PTGDR2 (0.50) ALDH1A1STAT1PTGDR2KDM4ENAMPT
SCHEMBL3928366 0.84 PKM (0.51) ALDH1A1STAT1KDM4EPKMGAA
SCHEMBL3929258 0.84 STAT1 (0.54) ALDH1A1STAT1KDM4EPKMGAA
SCHEMBL5795313 0.83 MEN1 (0.69) ALDH1A1KDM4EPKMGAAMEN1

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