SCHEMBL9723616

SCHEMBL9723616

CCCCCCCCCCCCCCCC[C](C)c1ccccc1CCCCCCCCCCCCCCCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.54
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
ALOX5 P09917 1/20 0.45
PTGS2 P35354 1/20 0.45
CYSLTR2 Q9NS75 5/20 0.44
CYSLTR1 Q9Y271 5/20 0.44
PPARA Q07869 3/20 0.44
PPARG P37231 2/20 0.44
BID P55957 3/20 0.43
MCL1 Q07820 3/20 0.43
BCL2L1 Q07817 2/20 0.43
BAK1 Q16611 2/20 0.43
KAT8 Q9H7Z6 2/20 0.43
EP300 Q09472 1/20 0.43
KAT2A Q92830 1/20 0.43
KAT2B Q92831 1/20 0.43
KAT5 Q92993 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
NR1H2 P55055 1/20 0.42

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
SCHEMBL5933765 1.00 LIPG (0.54) LIPGTHRATHRBALOX5PTGS2
SCHEMBL817010 0.89 LIPG (0.44) LIPGTHRATHRBALOX5PTGS2
SCHEMBL2125103 0.84 LIPG (0.56) LIPGTHRATHRBCYSLTR2CYSLTR1
SCHEMBL11441324 0.84 LIPG (0.56) LIPGTHRATHRBCYSLTR2CYSLTR1
SCHEMBL2123855 0.84 LIPG (0.56) LIPGTHRATHRBCYSLTR2CYSLTR1
SCHEMBL11422882 0.84 LIPG (0.56) LIPGTHRATHRBCYSLTR2CYSLTR1
SCHEMBL1577630 0.84 LIPG (0.56) LIPGTHRATHRBCYSLTR2CYSLTR1
SCHEMBL5164407 0.84 LIPG (0.56) LIPGTHRATHRBCYSLTR2CYSLTR1
SCHEMBL5709997 0.84 LIPG (0.56) LIPGTHRATHRBCYSLTR2CYSLTR1
SCHEMBL3081308 0.84 LIPG (0.56) LIPGTHRATHRBALOX5PTGS2

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-0467235-A1 Hair conditioning shampoo HELENE CURTIS, INC. (US) 1992-01-22 EP disclosed