SCHEMBL3939581

SCHEMBL3939581

Cc1cccc(S(=O)(=O)N2CCCC(c3cccc(CC(=O)O)c3)C2)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 9/20 0.52
CTNNB1 P35222 9/20 0.52
USP5 P45974 1/20 0.47
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
PAX8 Q06710 3/20 0.45
EPHX2 P34913 1/20 0.45
CYP2C19 P33261 1/20 0.44
DRD2 P14416 1/20 0.44
DRD1 P21728 1/20 0.44
DRD4 P21917 1/20 0.44
DRD5 P21918 1/20 0.44
DRD3 P35462 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
SCHEMBL3932070 0.91 ALDH1A1 (0.50) BCL9CTNNB1USP5ALDH1A1GAA
SCHEMBL3941700 0.91 BCL9 (0.54) BCL9CTNNB1USP5ALDH1A1GAA
SCHEMBL3935876 0.89 BCL9 (0.50) BCL9CTNNB1USP5GAAPAX8
SCHEMBL3941097 0.88 PTGDR2 (0.51) BCL9CTNNB1ALDH1A1GAA
SCHEMBL3930676 0.87 BCL9 (0.49) BCL9CTNNB1USP5CYP2C19DRD2
SCHEMBL3937652 0.86 MEN1 (0.50) BCL9CTNNB1USP5ALDH1A1CYP2C19
SCHEMBL3928445 0.85 BCL9 (0.47) BCL9CTNNB1USP5ALDH1A1
SCHEMBL3938369 0.85 AKR1C3 (0.60) BCL9CTNNB1ALDH1A1
SCHEMBL3929084 0.85 MAPT (0.55) BCL9CTNNB1USP5ALDH1A1GAA
SCHEMBL4110985 0.85 SMN1; SMN2 (0.48) BCL9CTNNB1USP5GAA

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