SCHEMBL13110565

SCHEMBL13110565

Cc1c(OCC(F)(F)F)ccnc1COc1ccc2c(c1)OCC2CC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 16/20 0.55
PPARD Q03181 13/20 0.55
PPARG P37231 10/20 0.55

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
Trifluoroacetic Acid SCHEMBL3450110 0.97 FFAR1 (0.53) FFAR1PPARDPPARG
SCHEMBL3450111 0.89 FFAR1 (0.45) FFAR1PPARDPPARG
SCHEMBL5624535 0.75 FFAR1 (0.64) FFAR1PPARDPPARG
SCHEMBL13068481 0.73 PPARG (0.73) FFAR1PPARDPPARG
SCHEMBL3449394 0.71 FFAR1 (0.65) FFAR1PPARDPPARG
SCHEMBL25846076 0.71 FFAR1 (0.56) FFAR1PPARDPPARG
SCHEMBL25846438 0.71 FFAR1 (0.56) FFAR1PPARDPPARG
SCHEMBL3451902 0.71 FFAR1 (0.67) FFAR1PPARDPPARG
SCHEMBL206775 0.71 PPARD (0.69) FFAR1PPARDPPARG
SCHEMBL10011429 0.70 PPARD (0.62) FFAR1PPARDPPARG

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