SCHEMBL3940596

SCHEMBL3940596

COc1ccc(S(=O)(=O)N2CCCC(c3cccc(CC(=O)O)c3)C2)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 5/20 0.52
NPC1 O15118 1/20 0.52
LMNA P02545 3/20 0.51
HTT P42858 2/20 0.51
BCL9 O00512 2/20 0.51
CTNNB1 P35222 2/20 0.51
USP2 O75604 1/20 0.51
TP53 P04637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
USP5 P45974 1/20 0.50
TSHR P16473 1/20 0.49
GAA P10253 1/20 0.49
KDM4E B2RXH2 2/20 0.48
PKM P14618 1/20 0.48

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
SCHEMBL3935829 0.91 NPC1 (0.53) MEN1KMT2AALDH1A1NPC1LMNA
SCHEMBL3932070 0.89 ALDH1A1 (0.50) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL3930676 0.89 BCL9 (0.49) MEN1KMT2ABCL9CTNNB1NPSR1
SCHEMBL3941700 0.89 BCL9 (0.54) MEN1KMT2AALDH1A1LMNABCL9
SCHEMBL3937652 0.88 MEN1 (0.50) MEN1KMT2AALDH1A1LMNABCL9
SCHEMBL4110985 0.87 SMN1; SMN2 (0.48) MEN1KMT2ALMNAHTTBCL9
SCHEMBL3938045 0.87 MAPT (0.55) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL3929084 0.87 MAPT (0.55) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL3941517 0.87 MAPT (0.55) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL14366755 0.87 MEN1 (0.48) MEN1KMT2ABCL9CTNNB1NPSR1

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-2044017-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2009-04-08 EP claimed
WO-2007146838-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2007-12-21 WO claimed
EP-2044017-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2009-04-08 EP disclosed
WO-2007146838-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2007-12-21 WO disclosed
WO-2007146838-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2007-12-21 WO disclosed