SCHEMBL3932032

SCHEMBL3932032

Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(CC(=O)O)ccc3OCc3ccc([N+](=O)[O-])cc3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
PTGDR2 Q9Y5Y4 4/20 0.47
KDM4E B2RXH2 2/20 0.47
STAT3 P40763 1/20 0.47
HSP90AA1 P07900 1/20 0.45

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
SCHEMBL3931978 0.93 MEN1 (0.54) ALDH1A1MAPTKMT2AMEN1PTGDR2
SCHEMBL3938472 0.92 ALDH1A1 (0.48) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL3927530 0.92 PTGDR2 (0.56) ALDH1A1MAPTKMT2AMEN1PTGDR2
SCHEMBL3932364 0.90 PTGDR2 (0.55) ALDH1A1KMT2AMEN1PTGDR2KDM4E
SCHEMBL3928769 0.89 PTGDR2 (0.61) ALDH1A1MAPTKMT2AMEN1PTGDR2
SCHEMBL3929213 0.89 MEN1 (0.50) ALDH1A1MAPTKMT2AMEN1PTGDR2
SCHEMBL3937820 0.89 PTGDR2 (0.58) ALDH1A1KMT2AMEN1PTGDR2KDM4E
SCHEMBL3928709 0.88 TP53 (0.55) ALDH1A1KMT2AMEN1PTGDR2KDM4E
SCHEMBL3931983 0.86 MEN1 (0.48) ALDH1A1MAPTKMT2AMEN1PTGDR2
SCHEMBL3936773 0.86 PTGDR2 (0.60) ALDH1A1MAPTKMT2AMEN1PTGDR2

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 4 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