SCHEMBL28014244

SCHEMBL28014244

CCCCCc1cccc(S)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.46
ALOX5 P09917 1/20 0.45
PTGS2 P35354 1/20 0.45
TYR P14679 1/20 0.43
BID P55957 3/20 0.42
MCL1 Q07820 3/20 0.42
BCL2L1 Q07817 2/20 0.42
BAK1 Q16611 2/20 0.42
KAT8 Q9H7Z6 2/20 0.42
PPARA Q07869 2/20 0.42
PPARG P37231 1/20 0.42
EP300 Q09472 1/20 0.42
KAT2A Q92830 1/20 0.42
KAT2B Q92831 1/20 0.42
KAT5 Q92993 1/20 0.42
SAE1 Q9UBE0 1/20 0.42
KCNH2 Q12809 2/20 0.41
CYSLTR2 Q9NS75 2/20 0.41
CYSLTR1 Q9Y271 2/20 0.41
NR1H2 P55055 1/20 0.38

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
SCHEMBL21901481 0.94 LIPG (0.39) LIPGALOX5PTGS2TYRBID
SCHEMBL3769573 0.85 LIPG (0.46) LIPGALOX5PTGS2TYRBID
SCHEMBL8516954 0.83 LIPG (0.49) LIPGALOX5PTGS2TYRBID
SCHEMBL8517004 0.83 LIPG (0.49) LIPGALOX5PTGS2TYRBID
SCHEMBL8518028 0.83 LIPG (0.49) LIPGALOX5PTGS2TYRBID
SCHEMBL8517066 0.83 LIPG (0.49) LIPGALOX5PTGS2TYRBID
SCHEMBL8517192 0.83 LIPG (0.49) LIPGALOX5PTGS2TYRBID
SCHEMBL8517160 0.83 LIPG (0.49) LIPGALOX5PTGS2TYRBID
SCHEMBL8517483 0.83 LIPG (0.49) LIPGALOX5PTGS2TYRBID
SCHEMBL1967734 0.82 LIPG (0.47) LIPGALOX5PTGS2BIDMCL1

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
CN-104640917-A Method for protecting an object against corrosion in a humid environment and composition thereof FRANS NOOREN AFDICHTINGSSYSTEMEN BV 2015-05-20 CN disclosed