SCHEMBL8889196

SCHEMBL8889196

O=C(O)CCCCCCCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.77
FFAR4 Q5NUL3 4/20 0.77
MAPT P10636 1/20 0.70
RXFP1 Q9HBX9 1/20 0.70
LTA4H P09960 1/20 0.65
EPHX2 P34913 1/20 0.65
CYSLTR2 Q9NS75 1/20 0.63
CYSLTR1 Q9Y271 1/20 0.63
ALOX5 P09917 1/20 0.62
MGLL Q99685 2/20 0.62
S1PR1 P21453 2/20 0.61
S1PR3 Q99500 1/20 0.61
S1PR5 Q9H228 1/20 0.61
AKR1B1 P15121 1/20 0.60

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
SCHEMBL20834076 1.00 FFAR1 (0.77) FFAR1FFAR4MAPTRXFP1LTA4H
SCHEMBL28441593 0.98 FFAR1 (0.79) FFAR1FFAR4MAPTRXFP1LTA4H
SCHEMBL7905578 0.94 FFAR1 (0.82) FFAR1FFAR4LTA4HEPHX2ALOX5
Azelaic Acid SCHEMBL21879788 0.91 FFAR1 (0.73) FFAR1FFAR4MAPTRXFP1LTA4H
Pimelic Acid SCHEMBL21879736 0.91 FFAR1 (0.73) FFAR1FFAR4MAPTRXFP1LTA4H
SCHEMBL1171526 0.88 FFAR1 (0.67) FFAR1FFAR4ALOX5MGLL
SCHEMBL1171933 0.88 FFAR1 (0.67) FFAR1FFAR4ALOX5MGLL
SCHEMBL1799635 0.88 FFAR1 (0.67) FFAR1FFAR4ALOX5MGLL
SCHEMBL1744939 0.87 FFAR1 (1.00) FFAR1FFAR4AKR1B1
Benzyloxyphenylpropanoic Acid SCHEMBL1134648 0.87 FFAR1 (1.00) FFAR1FFAR4AKR1B1

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
WO-1997000249-A1 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-01-03 WO disclosed