SCHEMBL3928709

SCHEMBL3928709

COc1ccc(COc2ccc(CC(=O)O)cc2CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 4/20 0.53
STAT3 P40763 1/20 0.53
LMNA P02545 2/20 0.52
POLB P06746 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
MAPK1 P28482 1/20 0.51
PKM P14618 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PTGDR2 Q9Y5Y4 2/20 0.49

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 0.95 MEN1 (0.54) TP53ALDH1A1KDM4ESTAT3LMNA
SCHEMBL3937733 0.92 ALDH1A1 (0.52) TP53L3MBTL1ALDH1A1KDM4ESTAT3
SCHEMBL3928439 0.92 ALDH1A1 (0.63) TP53L3MBTL1ALDH1A1KDM4ELMNA
SCHEMBL3932364 0.92 PTGDR2 (0.55) TP53ALDH1A1KDM4ESTAT3LMNA
SCHEMBL3928769 0.90 PTGDR2 (0.61) TP53ALDH1A1KDM4ESTAT3SMN1; SMN2
SCHEMBL3937820 0.90 PTGDR2 (0.58) TP53ALDH1A1KDM4ESTAT3LMNA
SCHEMBL3929213 0.90 MEN1 (0.50) TP53ALDH1A1KDM4ESTAT3SMN1; SMN2
SCHEMBL4106390 0.89 KDM4E (0.63) TP53L3MBTL1ALDH1A1KDM4ESTAT3
SCHEMBL3931983 0.88 MEN1 (0.48) TP53ALDH1A1KDM4ESTAT3LMNA
SCHEMBL3932032 0.88 ALDH1A1 (0.49) ALDH1A1KDM4ESTAT3MEN1KMT2A

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