SCHEMBL4033764

SCHEMBL4033764

COc1cc(COc2ccccc2CC(=O)O)ccc1OCc1nc(-c2ccccc2)oc1C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.53
KDM4E B2RXH2 1/20 0.52
MAPT P10636 3/20 0.49
KDR P35968 1/20 0.48
CFD P00746 2/20 0.48
F11 P03951 2/20 0.48
TPSB2 P20231 2/20 0.48
PLG P00747 1/20 0.48
PLAU P00749 1/20 0.48
KLKB1 P03952 1/20 0.48
F7 P08709 1/20 0.48
PPARG P37231 6/20 0.47
PPARA Q07869 6/20 0.47
ABCB1 P08183 2/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
PPARD Q03181 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
THRB P10828 1/20 0.45

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
SCHEMBL4028856 0.96 FFAR1 (0.53) FFAR1KDM4EMAPTKDRCFD
SCHEMBL4032386 0.90 FFAR1 (0.49) FFAR1KDM4EMAPTKDRPPARG
SCHEMBL4843985 0.90 FFAR1 (0.59) FFAR1KDM4EMAPTKDRPPARG
SCHEMBL4034630 0.87 FFAR1 (0.68) FFAR1KDM4EMAPTKDRPPARG
SCHEMBL5393169 0.86 FFAR1 (0.47) FFAR1KDM4EMAPTKDRPPARG
SCHEMBL5201483 0.86 KDM4E (0.63) FFAR1KDM4EMAPTKDRPPARG
SCHEMBL4031041 0.86 KDR (0.67) FFAR1KDM4EMAPTKDRCFD
SCHEMBL5409261 0.85 PPARG (0.48) FFAR1KDM4EMAPTKDRPPARG
SCHEMBL4034488 0.84 FFAR1 (0.62) FFAR1KDM4EMAPTKDRPPARG
SCHEMBL5398011 0.84 FFAR1 (0.45) FFAR1KDM4EMAPTKDRPPARG

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