SCHEMBL5311445

SCHEMBL5311445

COC(=O)C(C)(CC(=O)c1ccc(S(C)(=O)=O)cc1)C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.44
EPHX2 P34913 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
GAA P10253 1/20 0.40
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
PTGS2 P35354 2/20 0.38
KMT2A Q03164 1/20 0.36
AKR1C3 P42330 1/20 0.36

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
SCHEMBL9969418 0.77 GSR (0.56) GSREPHX2NR1H4MMP2MMP9
SCHEMBL8388265 0.77 EPHX2 (0.46) GSREPHX2GAAPTGS2KMT2A
SCHEMBL6656686 0.73 GSR (0.51) GSREPHX2NR1H4MMP2MMP9
SCHEMBL10541229 0.72 GSR (0.54) GSREPHX2NR1H4MMP2MMP9
SCHEMBL9700367 0.72 GSR (0.57) GSREPHX2NR1H4MMP2MMP9
SCHEMBL10745014 0.71 GSR (0.56) GSRMMP2MMP9MMP8AKR1C3
SCHEMBL29110133 0.69 SRC (0.56) GAAKMT2A
SCHEMBL25876517 0.69 GSR (0.57) GSREPHX2NR1H4MMP2MMP9
SCHEMBL2657688 0.68 EPHX2 (0.46) EPHX2NR1H4KMT2A
SCHEMBL28296252 0.68 GSR (0.53) GSREPHX2NR1H4MMP2MMP9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799823-B1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses DAIICHI SANKYO CO LTD (JP) 2007-10-31 EP disclosed
US-RE39420-E1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-12-05 US disclosed
US-5908858-A OSTEOPOROSIS; LEUKOTRIENE INHIBITOR SANKYO COMPANY, LIMITED (JP) 1999-06-01 US disclosed
EP-0799823-A1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1997-10-08 EP disclosed