SCHEMBL3961783

SCHEMBL3961783

O=C(O)CCc1ccc(O)c(OCc2ccccc2)c1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 12/20 0.68
FFAR4 Q5NUL3 9/20 0.68
THRA P10827 1/20 0.56
THRB P10828 1/20 0.56
AKR1B1 P15121 1/20 0.52
ALOX5 P09917 1/20 0.52
APP P05067 1/20 0.52
TRPV1 Q8NER1 1/20 0.52
KEAP1 Q14145 1/20 0.51

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
SCHEMBL3969430 0.88 FFAR1 (0.72) FFAR1FFAR4THRATHRB
SCHEMBL5336051 0.88 FFAR1 (0.76) FFAR1FFAR4THRATHRBAKR1B1
SCHEMBL23086060 0.87 APP (0.58) FFAR1FFAR4ALOX5APPTRPV1
SCHEMBL3968480 0.86 FFAR4 (0.55) FFAR1FFAR4ALOX5APPTRPV1
SCHEMBL9618319 0.86 FFAR4 (0.66) FFAR1FFAR4THRATHRB
SCHEMBL8603284 0.85 GAA (0.62) FFAR1FFAR4AKR1B1APP
SCHEMBL13690599 0.84 FFAR4 (0.80) FFAR1FFAR4
SCHEMBL6034704 0.84 FFAR4 (0.56) FFAR1FFAR4ALOX5APPTRPV1
SCHEMBL7822529 0.83 FFAR4 (0.73) FFAR1FFAR4APP
SCHEMBL5209587 0.83 APP (0.73) FFAR1FFAR4APP

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589170-B1 Synthesis of cyclic peptides THE UNIVERSITY OF QUEENSLAND (AU) 2009-09-15 US disclosed
US-7589170-B1 Synthesis of cyclic peptides THE UNIVERSITY OF QUEENSLAND (AU) 2009-09-15 US disclosed
EP-1115738-A4 SYNTHESIS OF CYCLIC PEPTIDES UNIV QUEENSLAND (AU) 2004-09-01 EP disclosed
EP-1115738-A1 SYNTHESIS OF CYCLIC PEPTIDES THE UNIVERSITY OF QUEENSLAND (AU) 2001-07-18 EP disclosed
WO-2000018790-A1 SYNTHESIS OF CYCLIC PEPTIDES THE UNIVERSITY OF QUEENSLAND (AU) 2000-04-06 WO disclosed