SCHEMBL4756249

SCHEMBL4756249

COc1ccc(C(=O)c2ccc(OCc3nc(-c4ccccc4)oc3C)cc2)c([O])c1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.61
TP53 P04637 4/20 0.57
FFAR1 O14842 1/20 0.57
PPARG P37231 5/20 0.55
PPARA Q07869 5/20 0.55
POLB P06746 2/20 0.54
KDR P35968 1/20 0.52

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
SCHEMBL4098230 0.91 MAPT (0.62) MAPTTP53FFAR1PPARGPPARA
SCHEMBL4102149 0.89 MAPT (0.61) MAPTTP53FFAR1PPARGPPARA
SCHEMBL4109852 0.88 MAPT (0.61) MAPTTP53FFAR1PPARGPPARA
SCHEMBL4092427 0.88 MAPT (0.61) MAPTTP53FFAR1PPARGPPARA
SCHEMBL4100506 0.86 FFAR1 (0.60) MAPTTP53FFAR1PPARGPPARA
SCHEMBL4106249 0.85 MAPT (0.62) MAPTTP53FFAR1PPARGPPARA
SCHEMBL4099663 0.85 PPARG (0.66) MAPTTP53FFAR1PPARGPPARA
SCHEMBL4099878 0.85 PPARG (0.66) MAPTTP53FFAR1PPARGPPARA
SCHEMBL4103807 0.85 PPARA (0.58) MAPTTP53FFAR1PPARGPPARA
SCHEMBL4093286 0.85 PPARG (0.66) MAPTTP53FFAR1PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1911738-A1 PHENOXYALKANOIC ACID COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP disclosed