SCHEMBL4016754

SCHEMBL4016754

COc1ccc(S(=O)(=O)n2cc(-c3cccc(CC(=O)O)c3)c3ccccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
HTR6 P50406 12/20 0.53
PPARG P37231 3/20 0.51
PPARD Q03181 2/20 0.51
PPARA Q07869 2/20 0.51
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
DRD2 P14416 2/20 0.46
HTR7 P34969 1/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HTR2A P28223 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
SCHEMBL4018010 0.91 HTR6 (0.50) L3MBTL1HTR6PPARGPPARDPPARA
SCHEMBL4014015 0.90 HTR6 (0.66) L3MBTL1HTR6CA2CA9CA12
SCHEMBL4011279 0.89 L3MBTL1 (0.69) L3MBTL1HTR6CA2CA9CA12
SCHEMBL4014386 0.87 HTR6 (0.56) L3MBTL1HTR6CA2CA9CA12
SCHEMBL4013799 0.85 HTR6 (0.59) L3MBTL1HTR6CA2CA9CA12
SCHEMBL3933164 0.82 KDM4E (0.48) L3MBTL1HTR6PPARGLMNA
SCHEMBL4007511 0.82 L3MBTL1 (0.50) L3MBTL1HTR6CA2CA9CA12
SCHEMBL1651879 0.80 HTR6 (0.74) L3MBTL1HTR6CA2CA9CA12
SCHEMBL13688490 0.79 ALDH1A1 (0.61) L3MBTL1HTR6PPARGKMT2A
SCHEMBL14366365 0.77 HTR6 (0.60) L3MBTL1HTR6CA2CA9CA12

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