SCHEMBL4028344

SCHEMBL4028344

Cc1oc(-c2ccccc2)nc1CCc1nc(COc2ccccc2CC(=O)O)cs1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
PPARG P37231 18/20 0.48
PPARA Q07869 16/20 0.48
FFAR1 O14842 1/20 0.46
PPARD Q03181 4/20 0.43

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
SCHEMBL4035149 0.92 PPARG (0.43) KDM4EPPARGPPARAFFAR1PPARD
SCHEMBL4031830 0.83 PPARG (0.57) PPARGPPARAFFAR1
SCHEMBL4038084 0.83 FFAR1 (0.58) KDM4EPPARGPPARAFFAR1PPARD
SCHEMBL4033261 0.83 KDM4E (0.52) KDM4EPPARGPPARAFFAR1PPARD
SCHEMBL5201483 0.81 KDM4E (0.63) KDM4EPPARGPPARAFFAR1PPARD
SCHEMBL4033468 0.79 KDM4E (0.52) KDM4EPPARGPPARAFFAR1PPARD
SCHEMBL4029543 0.79 PPARG (0.67) PPARGPPARAFFAR1PPARD
SCHEMBL4030953 0.78 FFAR1 (0.56) KDM4EPPARGPPARAFFAR1
SCHEMBL4032220 0.78 KDR (0.54) PPARGPPARA
SCHEMBL4035236 0.76 PPARG (0.64) PPARGPPARA

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