SCHEMBL6063552

SCHEMBL6063552

COc1cc(COc2ccc(CCC(=O)O)cc2F)cc(Oc2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 18/20 0.64
FFAR4 Q5NUL3 7/20 0.64
PPARD Q03181 2/20 0.48
PPARA Q07869 2/20 0.48
PPARG P37231 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
SCHEMBL6062510 0.94 FFAR1 (0.67) FFAR1FFAR4
SCHEMBL12394671 0.93 FFAR1 (0.55) FFAR1FFAR4PPARDPPARAPPARG
SCHEMBL2347255 0.92 FFAR1 (0.59) FFAR1FFAR4PPARDPPARAPPARG
SCHEMBL6063836 0.91 FFAR1 (0.63) FFAR1FFAR4PPARDPPARAPPARG
SCHEMBL6062713 0.90 FFAR1 (0.62) FFAR1FFAR4
SCHEMBL2350938 0.89 FFAR1 (0.61) FFAR1FFAR4PPARDPPARAPPARG
SCHEMBL2354845 0.89 FFAR1 (0.64) FFAR1FFAR4
SCHEMBL2347486 0.89 FFAR1 (0.54) FFAR1FFAR4PPARDPPARAPPARG
SCHEMBL2350944 0.89 FFAR4 (0.61) FFAR1FFAR4
SCHEMBL6062415 0.88 FFAR1 (0.69) FFAR1FFAR4PPARDPPARA

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-1688138-A1 RECEPTOR FUNCTION REGULATING AGENT Takeda Pharmaceutical Company Limited (JP) 2006-08-09 EP disclosed