SCHEMBL3936472

SCHEMBL3936472

CCc1ccc(S(=O)(=O)N2CCCC(c3cccc(CC(=O)OC)c3)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
BCL9 O00512 4/20 0.46
CTNNB1 P35222 4/20 0.46
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RAB9A P51151 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL3941453 0.91 BCL9 (0.47) TP53MEN1KMT2ABCL9CTNNB1
SCHEMBL3940272 0.91 ALDH1A1 (0.50) MEN1KMT2ABCL9CTNNB1ALDH1A1
SCHEMBL3935829 0.91 NPC1 (0.53) TP53MEN1KMT2ABCL9CTNNB1
SCHEMBL3941513 0.91 SMN1; SMN2 (0.48) MEN1KMT2ABCL9CTNNB1LMNA
SCHEMBL3933582 0.91 GAA (0.49) TP53MEN1KMT2ABCL9CTNNB1
SCHEMBL3937652 0.89 MEN1 (0.50) TP53MEN1KMT2ABCL9CTNNB1
SCHEMBL3928444 0.89 BCL9 (0.55) TP53MEN1KMT2ABCL9CTNNB1
SCHEMBL3930533 0.88 BCL9 (0.50) MEN1KMT2ABCL9CTNNB1ALDH1A1
SCHEMBL3939617 0.88 KMT2A (0.45) MEN1KMT2ABCL9CTNNB1ALDH1A1
SCHEMBL3932848 0.87 BCL9 (0.47) BCL9CTNNB1ALDH1A1NPC1LMNA

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-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