SCHEMBL13110587

SCHEMBL13110587

O=C(O)CC1COc2cc(OCCN(Cc3ccccc3)Cc3ccccc3)ccc21

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.72
PPARD Q03181 14/20 0.72
FFAR1 O14842 15/20 0.67
PPARA Q07869 2/20 0.67

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
SCHEMBL13110586 0.95 PPARG (0.73) PPARGPPARDFFAR1PPARA
Trifluoroacetic Acid SCHEMBL3450183 0.94 PPARG (0.65) PPARGPPARDFFAR1PPARA
Trifluoroacetic Acid SCHEMBL3449858 0.90 PPARG (0.66) PPARGPPARDFFAR1PPARA
SCHEMBL3450186 0.86 PPARG (0.54) PPARGPPARDFFAR1PPARA
SCHEMBL3450988 0.83 PPARD (0.95) PPARGPPARDFFAR1PPARA
SCHEMBL3450733 0.83 PPARD (1.00) PPARGPPARDFFAR1PPARA
SCHEMBL3450439 0.83 PPARG (0.78) PPARGPPARDFFAR1PPARA
SCHEMBL3449862 0.81 PPARG (0.55) PPARGPPARDFFAR1PPARA
SCHEMBL3450263 0.80 FFAR1 (0.63) PPARGPPARDFFAR1PPARA
SCHEMBL13110585 0.80 PPARD (0.61) 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 2 patents. 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
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