SCHEMBL13110487

SCHEMBL13110487

COC(=O)CC1COc2cc(OCc3ccc(CN(CCc4ccccc4)c4nc(-c5ccccc5)cs4)cc3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 19/20 0.51
PPARD Q03181 3/20 0.50
PPARG P37231 1/20 0.45
PPARA Q07869 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
SCHEMBL13110443 0.94 FFAR1 (0.50) FFAR1PPARD
SCHEMBL3451391 0.93 FFAR1 (0.57) FFAR1PPARDPPARGPPARA
SCHEMBL3451532 0.88 FFAR1 (0.58) FFAR1PPARD
SCHEMBL3917024 0.81 NPSR1 (0.53) FFAR1PPARD
SCHEMBL3911602 0.80 NPSR1 (0.51) FFAR1PPARD
SCHEMBL13110508 0.79 FFAR1 (0.61) FFAR1PPARDPPARGPPARA
SCHEMBL3450254 0.76 FFAR1 (0.61) FFAR1PPARDPPARGPPARA
SCHEMBL1745481 0.76 NPSR1 (0.47) FFAR1PPARD
SCHEMBL3912223 0.76 PPARD (0.57) FFAR1PPARDPPARGPPARA
SCHEMBL13110490 0.76 FFAR1 (0.85) FFAR1

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