SCHEMBL13126358

SCHEMBL13126358

Nc1ccc(-c2ccc(OCCCOc3ccc4c(c3)OCC4CC(=O)O)cc2)cc1

nearest known ligand 0.84

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.84
PPARD Q03181 14/20 0.84
FFAR1 O14842 14/20 0.84
PPARA Q07869 2/20 0.84
GNA15 P30679 1/20 0.54
SLC10A1 Q14973 1/20 0.54
ABCC2 Q92887 1/20 0.54
SLCO1B3 Q9NPD5 1/20 0.54
SLCO1B1 Q9Y6L6 1/20 0.54

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
SCHEMBL3450733 0.88 PPARD (1.00) PPARGPPARDFFAR1PPARA
SCHEMBL3450886 0.87 PPARD (0.80) PPARGPPARDFFAR1PPARA
SCHEMBL3450988 0.85 PPARD (0.95) PPARGPPARDFFAR1PPARA
SCHEMBL3450961 0.84 PPARG (0.80) PPARGPPARDFFAR1PPARA
SCHEMBL3451756 0.83 PPARG (0.78) PPARGPPARDFFAR1PPARAGNA15
SCHEMBL3450594 0.81 PPARG (0.74) PPARGPPARDFFAR1PPARA
SCHEMBL3450379 0.80 FFAR1 (0.73) PPARGPPARDFFAR1PPARA
SCHEMBL4414880 0.80 PPARG (0.59) PPARGPPARDFFAR1PPARA
SCHEMBL10011520 0.80 PPARG (0.59) PPARGPPARDFFAR1PPARA
SCHEMBL13068481 0.79 PPARG (0.73) PPARGPPARDFFAR1PPARA

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
US-7820837-B2 ethyl {6-[(3-phenoxybenzyl)oxy]-3,4-dihydronaphthalen-1-yl}acetate; having a GPR40 receptor function modulating action and being useful as an insulin secretagogue or a pharmaceutical agent for the prophylaxis or treatment of diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-26 US disclosed