SCHEMBL6063512

SCHEMBL6063512

O=C(O)CCc1cc(F)c(OCc2cccc(Oc3cccc4ccccc34)c2)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.56
FFAR4 Q5NUL3 3/20 0.55
SUCNR1 Q9BXA5 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.48
THRA P10827 6/20 0.47
THRB P10828 6/20 0.47
AKR1B1 P15121 1/20 0.47
ESR1 P03372 1/20 0.47
NR3C1 P04150 1/20 0.47
PGR P06401 1/20 0.47
NR3C2 P08235 1/20 0.47
AR P10275 1/20 0.47
LTB4R Q15722 1/20 0.46
LTB4R2 Q9NPC1 1/20 0.46

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
SCHEMBL12394633 0.92 FFAR1 (0.49) FFAR1FFAR4SUCNR1MRGPRX4THRA
SCHEMBL2352559 0.88 FFAR1 (0.48) FFAR1FFAR4SUCNR1MRGPRX4THRA
SCHEMBL2346143 0.87 FFAR1 (0.71) FFAR1FFAR4THRATHRBAKR1B1
SCHEMBL2349126 0.84 FFAR1 (0.67) FFAR1FFAR4THRATHRBESR1
SCHEMBL6063654 0.80 FFAR1 (0.56) FFAR1FFAR4THRATHRBAKR1B1
SCHEMBL2354346 0.80 FFAR1 (0.63) FFAR1FFAR4THRATHRBESR1
SCHEMBL2350889 0.80 FFAR1 (0.67) FFAR1FFAR4THRATHRBAKR1B1
SCHEMBL2350861 0.80 FFAR1 (0.76) FFAR1FFAR4THRATHRB
SCHEMBL2346105 0.80 FFAR1 (0.64) FFAR1FFAR4THRATHRBESR1
SCHEMBL2353744 0.80 FFAR1 (0.64) FFAR1FFAR4THRATHRBESR1

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