SCHEMBL9068449

SCHEMBL9068449

CCCCCCCCCCCCCc1ccccc1OC(c1ccccc1CCCCCCCCCCCCC)C(CO)(CO)CO

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
CYSLTR2 Q9NS75 9/20 0.44
CYSLTR1 Q9Y271 9/20 0.44
LIPG Q9Y5X9 1/20 0.42
ALOX5 P09917 1/20 0.42
PTGS2 P35354 1/20 0.42
PPARA Q07869 3/20 0.40
PPARG P37231 1/20 0.39
ADRB2 P07550 2/20 0.36
ADRB1 P08588 2/20 0.36

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
SCHEMBL6058721 1.00 THRA (0.45) THRATHRBCYSLTR2CYSLTR1LIPG
SCHEMBL6058656 1.00 THRA (0.45) THRATHRBCYSLTR2CYSLTR1LIPG
SCHEMBL98963 1.00 THRA (0.45) THRATHRBCYSLTR2CYSLTR1LIPG
SCHEMBL6058770 1.00 THRA (0.45) THRATHRBCYSLTR2CYSLTR1LIPG
SCHEMBL7522466 1.00 THRA (0.45) THRATHRBCYSLTR2CYSLTR1LIPG
SCHEMBL7529783 1.00 THRA (0.45) THRATHRBCYSLTR2CYSLTR1LIPG
SCHEMBL6058927 1.00 THRA (0.45) THRATHRBCYSLTR2CYSLTR1LIPG
SCHEMBL1072547 0.96 THRA (0.43) THRATHRBCYSLTR2CYSLTR1LIPG
SCHEMBL4624127 0.96 THRA (0.43) THRATHRBCYSLTR2CYSLTR1LIPG
SCHEMBL29357440 0.96 THRA (0.43) THRATHRBCYSLTR2CYSLTR1LIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0386256-B1 AROMATIC POLYESTER RESIN COMPOSITION AND FIBERS THEREOF TEIJIN LTD (JP) 1996-05-01 EP claimed
EP-0386256-A1 AROMATIC POLYESTER RESIN COMPOSITION AND FIBERS THEREOF TEIJIN LIMITED (JP) 1990-09-12 EP claimed
EP-0386256-B1 AROMATIC POLYESTER RESIN COMPOSITION AND FIBERS THEREOF TEIJIN LTD (JP) 1996-05-01 EP disclosed
EP-0386256-A1 AROMATIC POLYESTER RESIN COMPOSITION AND FIBERS THEREOF TEIJIN LIMITED (JP) 1990-09-12 EP disclosed