SCHEMBL13110418

SCHEMBL13110418

CCOC(=O)CC1CCc2cc(OCc3cccc(Oc4ccccc4)c3)ccc21

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.59
PPARD Q03181 11/20 0.54
PPARA Q07869 2/20 0.50
PPARG P37231 1/20 0.47
FFAR4 Q5NUL3 1/20 0.46

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
SCHEMBL13110407 0.94 FFAR1 (0.61) FFAR1PPARDPPARAPPARGFFAR4
SCHEMBL13110431 0.94 FFAR1 (0.61) FFAR1PPARDPPARAPPARGFFAR4
SCHEMBL3964811 0.92 FFAR1 (0.63) FFAR1PPARDPPARAPPARG
SCHEMBL3451166 0.88 PPARD (0.69) FFAR1PPARDPPARAFFAR4
SCHEMBL13110422 0.84 FFAR1 (0.81) FFAR1
SCHEMBL3450438 0.82 FFAR1 (0.69) FFAR1PPARDPPARAPPARGFFAR4
SCHEMBL12214716 0.82 PPARD (0.50) FFAR1PPARDPPARAPPARG
SCHEMBL3449531 0.81 FFAR1 (0.70) FFAR1PPARDPPARAPPARGFFAR4
SCHEMBL3965769 0.79 PPARD (0.74) FFAR1PPARDPPARAPPARG
SCHEMBL3962234 0.79 PPARD (0.74) 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