SCHEMBL6089416

SCHEMBL6089416

Cc1cccc(C(=S=O)c2cccc(OCc3ccc4ccccc4n3)c2)c1C(=O)OCC(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 11/20 0.55
GPBAR1 Q8TDU6 3/20 0.54
CYSLTR2 Q9NS75 7/20 0.47
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
THPO P40225 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45

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
SCHEMBL6090970 0.88 CYSLTR1 (0.66) CYSLTR1GPBAR1CYSLTR2KDM4EMEN1
SCHEMBL6088757 0.80 CYSLTR1 (0.48) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6089021 0.78 CYSLTR1 (0.48) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6089420 0.77 CYSLTR1 (0.47) CYSLTR1GPBAR1CYSLTR2
SCHEMBL10545855 0.75 CYSLTR1 (0.79) CYSLTR1GPBAR1CYSLTR2
SCHEMBL28031105 0.73 CYSLTR1 (0.80) CYSLTR1GPBAR1CYSLTR2
SCHEMBL9130463 0.73 CYSLTR1 (1.00) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6090963 0.72 CYSLTR1 (0.46) CYSLTR1GPBAR1CYSLTR2MAPT
SCHEMBL10484526 0.72 CYSLTR1 (0.81) CYSLTR1GPBAR1CYSLTR2
SCHEMBL422355 0.72 CYSLTR1 (1.00) CYSLTR1GPBAR1CYSLTR2KDM4EMEN1

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
US-7005440-B1 Therapeutic uses of tri-aryl acid derivatives AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2006-02-28 US disclosed
EP-1177176-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS Aventis Pharma Deutschland GmbH (DE) 2002-02-06 EP disclosed
WO-2000064876-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-02 WO disclosed