SCHEMBL4034476

SCHEMBL4034476

Cc1oc(-c2ccccc2)nc1COc1ccc(COc2ccc3ccccc3c2CCC(=O)O)cc1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.71
PPARG P37231 18/20 0.59
PPARA Q07869 15/20 0.59
PPARD Q03181 2/20 0.49
KDR P35968 1/20 0.48

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
SCHEMBL4031811 0.92 FFAR1 (0.59) FFAR1PPARGPPARAPPARDKDR
SCHEMBL4035167 0.91 FFAR1 (0.62) FFAR1PPARGPPARAKDR
SCHEMBL4033748 0.86 FFAR1 (0.78) FFAR1PPARGPPARAPPARDKDR
SCHEMBL1745059 0.86 FFAR1 (0.96) FFAR1PPARGPPARAPPARD
SCHEMBL4036976 0.84 FFAR1 (0.52) FFAR1PPARGPPARAKDR
SCHEMBL4031905 0.83 FFAR1 (0.70) FFAR1PPARGPPARAPPARDKDR
SCHEMBL4034348 0.82 FFAR1 (0.71) FFAR1PPARGPPARAPPARDKDR
SCHEMBL4029056 0.82 MAPT (0.57) FFAR1PPARGPPARAKDR
SCHEMBL4034751 0.81 FFAR1 (0.81) FFAR1PPARGPPARAPPARDKDR
SCHEMBL4034630 0.81 FFAR1 (0.68) FFAR1PPARGPPARAKDR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1357115-B1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2009-06-17 EP disclosed
US-7238716-B2 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICALS COMPANY LIMITED (JP) 2007-07-03 US disclosed
EP-1357115-A1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-10-29 EP disclosed