SCHEMBL8998282

SCHEMBL8998282

COc1cc(C(=O)C(Sc2ccccc2)C(=O)O)ccc1Cn1ncc2ccc(NC(=O)OC3CCCC3)cc21

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 10/20 0.69
CYSLTR1 Q9Y271 10/20 0.69
PLA2G4A P47712 3/20 0.48
EPHX2 P34913 2/20 0.44
PPARG P37231 2/20 0.44
MEN1 O00255 1/20 0.43
PTGES O14684 1/20 0.43
XPO1 O14980 1/20 0.43
SLC22A2 O15244 1/20 0.43
ABCC4 O15439 1/20 0.43
NR1I2 O75469 1/20 0.43
ABCB11 O95342 1/20 0.43
EGFR P00533 1/20 0.43
NR3C1 P04150 1/20 0.43
PGR P06401 1/20 0.43
POLB P06746 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
MAPT P10636 1/20 0.43
RARB P10826 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
SCHEMBL8998138 0.86 CYSLTR2 (0.77) CYSLTR2CYSLTR1PLA2G4AEPHX2PPARG
SCHEMBL9806763 0.85 CYSLTR2 (0.76) CYSLTR2CYSLTR1PLA2G4AEPHX2PPARG
SCHEMBL8998287 0.84 CYSLTR2 (0.74) CYSLTR2CYSLTR1PLA2G4AEPHX2PPARG
SCHEMBL8998205 0.84 CYSLTR1 (0.76) CYSLTR2CYSLTR1PLA2G4AEPHX2PPARG
SCHEMBL9806757 0.83 CYSLTR2 (0.72) CYSLTR2CYSLTR1PLA2G4AEPHX2PPARG
Ici-198615 SCHEMBL29465033 0.82 CYSLTR1 (1.00) CYSLTR2CYSLTR1PLA2G4AEPHX2PPARG
Ici-198615 SCHEMBL9806720 0.82 CYSLTR1 (1.00) CYSLTR2CYSLTR1PLA2G4AEPHX2PPARG
Ici-198615 SCHEMBL31060498 0.82 CYSLTR1 (1.00) CYSLTR2CYSLTR1PLA2G4AEPHX2PPARG
SCHEMBL8998206 0.81 CYSLTR2 (0.70) CYSLTR2CYSLTR1PLA2G4AEPHX2PPARG
SCHEMBL9478025 0.75 CYSLTR2 (0.61) CYSLTR2CYSLTR1PLA2G4AEPHX2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0227241-B1 Medicinal indole and indazole keto sulphone derivatives ZENECA INC (US) 1996-09-11 EP claimed