SCHEMBL13110424

SCHEMBL13110424

CCCN(Cc1ccc(COc2ccc3c(c2)CCCC3CC(=O)OCC)cc1)c1nc(-c2ccccc2)cs1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.48
PPARA Q07869 12/20 0.43
PPARG P37231 3/20 0.43
PPARD Q03181 9/20 0.42
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
GSTO1 P78417 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL13110464 0.96 FFAR1 (0.46) FFAR1PPARAPPARGPPARD
SCHEMBL3450890 0.94 FFAR1 (0.55) FFAR1PPARAPPARGPPARD
SCHEMBL3450429 0.89 FFAR1 (0.54) FFAR1PPARAPPARGPPARD
SCHEMBL13110443 0.80 FFAR1 (0.50) FFAR1PPARD
SCHEMBL3451532 0.79 FFAR1 (0.58) FFAR1PPARD
SCHEMBL1746741 0.78 FFAR1 (0.42) FFAR1PPARAPPARGPPARDGSTO1
SCHEMBL3451333 0.76 FFAR1 (0.48) FFAR1MEN1KMT2ANPSR1
SCHEMBL3964811 0.75 FFAR1 (0.63) FFAR1PPARAPPARGPPARDGRIN1
SCHEMBL1745053 0.75 FFAR1 (0.53) FFAR1PPARAPPARGPPARDMEN1
SCHEMBL3450971 0.75 FFAR1 (0.55) FFAR1MEN1KMT2ANPSR1

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