SCHEMBL8998136

SCHEMBL8998136

COC(=O)C(C(=O)c1ccc(C(C)c2c[nH]c3ccc(NC(=O)OC4CCCC4)cc23)c(OC)c1)S(=O)(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 10/20 0.55
CYSLTR2 Q9NS75 9/20 0.55
EPHX2 P34913 3/20 0.45
PPARG P37231 3/20 0.45
PLA2G4A P47712 3/20 0.42
MEN1 O00255 1/20 0.39
PTGES O14684 1/20 0.39
XPO1 O14980 1/20 0.39
SLC22A2 O15244 1/20 0.39
ABCC4 O15439 1/20 0.39
NR1I2 O75469 1/20 0.39
ABCB11 O95342 1/20 0.39
EGFR P00533 1/20 0.39
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39
POLB P06746 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
MAPT P10636 1/20 0.39
RARB P10826 1/20 0.39

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
SCHEMBL8998161 0.90 CYSLTR1 (0.44) CYSLTR1CYSLTR2EPHX2PPARGMAPT
SCHEMBL8998257 0.88 CYSLTR1 (0.47) CYSLTR1CYSLTR2EPHX2PPARGPLA2G4A
SCHEMBL6357802 0.86 CYSLTR1 (0.73) CYSLTR1CYSLTR2EPHX2PPARGPLA2G4A
SCHEMBL8951514 0.86 CYSLTR1 (0.72) CYSLTR1CYSLTR2EPHX2PPARGPLA2G4A
SCHEMBL4294287 0.85 CYSLTR2 (0.53) CYSLTR1CYSLTR2EPHX2PPARGPLA2G4A
SCHEMBL3683219 0.83 CYSLTR1 (0.51) CYSLTR1CYSLTR2EPHX2PPARGPLA2G4A
SCHEMBL6716972 0.82 CYSLTR1 (0.50) CYSLTR1CYSLTR2EPHX2PPARGPLA2G4A
Toluene SCHEMBL9010944 0.82 CYSLTR2 (0.59) CYSLTR1CYSLTR2EPHX2PPARGPLA2G4A
SCHEMBL10562495 0.81 CYSLTR2 (0.44) CYSLTR1CYSLTR2
SCHEMBL9586166 0.80 CYSLTR2 (0.60) CYSLTR1CYSLTR2EPHX2PPARGPLA2G4A

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 3 patents. 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 disclosed
US-4837235-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS ICI AMERICAS INC. (US) 1989-06-06 US disclosed
EP-0227241-A2 Medicinal indole and indazole keto sulphone derivatives ZENECA INC. (US) 1987-07-01 EP disclosed