SCHEMBL13110508

SCHEMBL13110508

COC(=O)CC1COc2cc(OCc3csc(-c4ccccc4)n3)ccc21

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 19/20 0.61
PPARD Q03181 7/20 0.61
PPARA Q07869 2/20 0.52
PPARG P37231 2/20 0.52

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
SCHEMBL3450989 0.91 FFAR1 (0.70) FFAR1PPARDPPARAPPARG
SCHEMBL13110509 0.84 FFAR1 (0.46) FFAR1PPARDPPARG
SCHEMBL3449360 0.84 FFAR1 (0.61) FFAR1PPARDPPARAPPARG
SCHEMBL3452973 0.83 FFAR1 (0.71) FFAR1PPARDPPARAPPARG
SCHEMBL13110443 0.79 FFAR1 (0.50) FFAR1PPARD
SCHEMBL13110487 0.79 FFAR1 (0.51) FFAR1PPARDPPARAPPARG
SCHEMBL3451460 0.79 FFAR1 (0.57) FFAR1PPARDPPARAPPARG
SCHEMBL13110460 0.79 FFAR1 (0.83) FFAR1PPARD
SCHEMBL13110439 0.79 FFAR1 (0.59) FFAR1PPARDPPARG
SCHEMBL3450184 0.79 FFAR1 (0.56) FFAR1PPARDPPARAPPARG

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