SCHEMBL4035167

SCHEMBL4035167

Cc1oc(-c2ccccc2)nc1COc1ccc(COc2ccc3ccccc3c2CC(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.62
PPARG P37231 13/20 0.56
PPARA Q07869 13/20 0.56
KDM4E B2RXH2 1/20 0.51
KDR P35968 1/20 0.49
MAPT P10636 2/20 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
SCHEMBL4034476 0.91 FFAR1 (0.71) FFAR1PPARGPPARAKDR
SCHEMBL4031811 0.86 FFAR1 (0.59) FFAR1PPARGPPARAKDRMAPT
SCHEMBL4036976 0.85 FFAR1 (0.52) FFAR1PPARGPPARAKDM4EKDR
SCHEMBL4032164 0.85 FFAR1 (0.76) FFAR1PPARGPPARAKDM4EKDR
SCHEMBL4034630 0.84 FFAR1 (0.68) FFAR1PPARGPPARAKDM4EKDR
SCHEMBL4029056 0.83 MAPT (0.57) FFAR1PPARGPPARAKDRMAPT
SCHEMBL4031396 0.83 FFAR1 (0.64) FFAR1PPARGPPARAKDM4EKDR
SCHEMBL5403576 0.83 FFAR1 (0.79) FFAR1PPARGPPARAKDM4EKDR
SCHEMBL2534811 0.83 FFAR1 (0.63) FFAR1PPARGPPARAKDM4EKDR
SCHEMBL4032405 0.83 FFAR1 (0.63) FFAR1PPARGPPARAKDM4EKDR

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