SCHEMBL4018010

SCHEMBL4018010

COC(=O)Cc1cccc(-c2cn(S(=O)(=O)c3ccc(OC)cc3)c3ccccc23)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PPARG P37231 2/20 0.46
PPARD Q03181 2/20 0.46
PPARA Q07869 2/20 0.46
DRD2 P14416 2/20 0.45
HTR7 P34969 1/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
ALOX5 P09917 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTR2A P28223 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
SCHEMBL4013799 0.92 HTR6 (0.59) HTR6L3MBTL1DRD2HTR7CA2
SCHEMBL4016754 0.91 L3MBTL1 (0.54) HTR6L3MBTL1PPARGPPARDPPARA
SCHEMBL4007511 0.90 L3MBTL1 (0.50) HTR6L3MBTL1HTR7CA2CA9
SCHEMBL4019486 0.85 HPGD (0.51) HTR6L3MBTL1MAPTHPGDTSHR
SCHEMBL4012211 0.80 HTR6 (0.54) HTR6L3MBTL1CA2CA9MAPT
SCHEMBL4014015 0.80 HTR6 (0.66) HTR6L3MBTL1CA2CA9CA12
SCHEMBL4011279 0.80 L3MBTL1 (0.69) HTR6L3MBTL1CA2CA9ALOX5
SCHEMBL4016525 0.80 HTR6 (0.53) HTR6L3MBTL1CA2CA9MAPT
SCHEMBL4014386 0.78 HTR6 (0.56) HTR6L3MBTL1HTR7CA2CA9
SCHEMBL13688490 0.78 ALDH1A1 (0.61) HTR6L3MBTL1PPARGMAPTKMT2A

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