SCHEMBL6063547

SCHEMBL6063547

O=C(O)CCc1cc(F)c(OCc2ccccc2OCC2CCCO2)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.47
THRB P10828 2/20 0.47
FFAR4 Q5NUL3 8/20 0.46
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
FFAR1 O14842 2/20 0.43
MGLL Q99685 1/20 0.42
SCN9A Q15858 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL12394613 0.93 SCN9A (0.43) THRATHRBFFAR4FFAR1MGLL
SCHEMBL2351022 0.89 MGLL (0.45) THRATHRBFFAR4FFAR1MGLL
SCHEMBL6063960 0.80 THRA (0.50) THRATHRBFFAR4RXRARXRB
SCHEMBL6062633 0.79 THRA (0.59) THRATHRBFFAR4FFAR1
SCHEMBL6063195 0.79 THRA (0.52) THRATHRBFFAR4RXRARXRB
SCHEMBL2349128 0.77 THRA (0.55) THRATHRBFFAR4FFAR1
SCHEMBL6064208 0.77 THRA (0.75) THRATHRBFFAR4FFAR1
SCHEMBL2351164 0.76 FFAR1 (0.70) THRATHRBFFAR4FFAR1
SCHEMBL6063323 0.75 FFAR4 (0.52) THRATHRBFFAR4FFAR1
SCHEMBL6063119 0.74 FFAR4 (0.67) THRATHRBFFAR4FFAR1

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