SCHEMBL1755751

SCHEMBL1755751

CCCc1c(SCc2ccc(C(OC3CCCCO3)c3cccc(N)c3)cc2)ccc(C(C)=O)c1O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
ADRB3 P13945 1/20 0.32
CYSLTR1 Q9Y271 8/20 0.32
CYSLTR2 Q9NS75 7/20 0.32
TBXAS1 P24557 2/20 0.31
LTB4R Q15722 1/20 0.31
LTB4R2 Q9NPC1 1/20 0.31
FKBP1A P62942 2/20 0.31
MEN1 O00255 1/20 0.30
PDE5A O76074 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
FKBP4 Q02790 1/20 0.30
FKBP5 Q13451 1/20 0.30

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
SCHEMBL480876 0.89 PPARG (0.34) PTGER4PPARGPPARDPPARACYSLTR1
SCHEMBL480875 0.89 PPARG (0.34) PTGER4PPARGPPARDPPARACYSLTR1
SCHEMBL480877 0.89 PPARG (0.34) PTGER4PPARGPPARDPPARACYSLTR1
SCHEMBL1755706 0.82 CYSLTR1 (0.46) CYSLTR1CYSLTR2TBXAS1LTB4RLTB4R2
SCHEMBL1755728 0.78 CYSLTR1 (0.46) CYSLTR1CYSLTR2TBXAS1LTB4RLTB4R2
SCHEMBL13645751 0.78 PTGER4 (0.35) PTGER4CYSLTR1CYSLTR2TBXAS1LTB4R
SCHEMBL1755767 0.78 PTGER4 (0.38) PTGER4ADRB3CYSLTR1FKBP1AMAPT
SCHEMBL8264743 0.78 L3MBTL1 (0.36) PTGER4ADRB3CYSLTR1FKBP1AMEN1
SCHEMBL10244891 0.77 PTGER4 (0.38) PTGER4ADRB3CYSLTR1FKBP1AMAPT
SCHEMBL481296 0.76 CYSLTR1 (0.42) CYSLTR1CYSLTR2TBXAS1LTB4RLTB4R2

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-2441762-A1 Potentiators of Glutamate Receptors Eli Lilly and Company (US) 2012-04-18 EP disclosed
WO-2006057870-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2006-06-01 WO disclosed