SCHEMBL6063746

SCHEMBL6063746

O=C(O)CCc1cc(F)c(OCc2cccc(Oc3nccs3)c2)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.52
FFAR4 Q5NUL3 4/20 0.51
THRA P10827 6/20 0.46
THRB P10828 6/20 0.46
ESR1 P03372 1/20 0.46
NR3C1 P04150 1/20 0.46
PGR P06401 1/20 0.46
NR3C2 P08235 1/20 0.46
AR P10275 1/20 0.46
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 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
SCHEMBL12394632 0.92 FFAR1 (0.43) FFAR1FFAR4THRATHRBESR1
SCHEMBL2355921 0.89 FFAR1 (0.43) FFAR1FFAR4THRATHRBCYP4F2
SCHEMBL2346143 0.84 FFAR1 (0.71) FFAR1FFAR4THRATHRBESR1
SCHEMBL6062477 0.83 FFAR1 (0.53) FFAR1FFAR4THRATHRBESR1
SCHEMBL2346716 0.81 FFAR1 (0.56) FFAR1FFAR4THRATHRBESR1
SCHEMBL6063654 0.81 FFAR1 (0.56) FFAR1FFAR4THRATHRBESR1
SCHEMBL2349126 0.81 FFAR1 (0.67) FFAR1FFAR4THRATHRBESR1
SCHEMBL2354346 0.79 FFAR1 (0.63) FFAR1FFAR4THRATHRBESR1
SCHEMBL2346105 0.79 FFAR1 (0.64) FFAR1FFAR4THRATHRBESR1
SCHEMBL2350861 0.79 FFAR1 (0.76) FFAR1FFAR4THRATHRB

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