SCHEMBL6062633

SCHEMBL6062633

O=C(O)CCc1cc(F)c(OCc2ccccc2OCc2ccccc2)c(F)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.59
THRB P10828 2/20 0.59
PTGER1 P34995 6/20 0.54
PTGER4 P35408 6/20 0.54
PTGER3 P43115 6/20 0.54
PTGER2 P43116 6/20 0.54
FFAR4 Q5NUL3 9/20 0.53
FFAR1 O14842 7/20 0.53
LTB4R Q15722 1/20 0.49
LTB4R2 Q9NPC1 1/20 0.49

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
SCHEMBL12394612 0.92 THRA (0.49) THRATHRBPTGER1PTGER4PTGER3
SCHEMBL2349977 0.88 PTGER1 (0.47) THRATHRBPTGER1PTGER4PTGER3
SCHEMBL2349128 0.88 THRA (0.55) THRATHRBFFAR4FFAR1
SCHEMBL2351164 0.86 FFAR1 (0.70) THRATHRBFFAR4FFAR1LTB4R
SCHEMBL6063323 0.86 FFAR4 (0.52) THRATHRBFFAR4FFAR1
SCHEMBL6063119 0.84 FFAR4 (0.67) THRATHRBFFAR4FFAR1
SCHEMBL6064208 0.82 THRA (0.75) THRATHRBPTGER1PTGER4PTGER3
SCHEMBL6063960 0.82 THRA (0.50) THRATHRBPTGER1PTGER4PTGER3
SCHEMBL19181442 0.81 THRA (0.71) THRATHRBPTGER1PTGER4PTGER3
SCHEMBL2347446 0.81 FFAR4 (0.67) THRATHRBPTGER1PTGER4PTGER3

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