SCHEMBL27830010

SCHEMBL27830010

CCCCCCCCCCCCc1c(O)cccc1OCC

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.57
CNR2 P34972 7/20 0.57
ALOX5 P09917 4/20 0.46
PTGS2 P35354 1/20 0.46
BID P55957 3/20 0.44
MCL1 Q07820 3/20 0.44
BCL2L1 Q07817 2/20 0.44
BAK1 Q16611 2/20 0.44
KAT8 Q9H7Z6 2/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
EP300 Q09472 1/20 0.44
KAT2A Q92830 1/20 0.44
KAT2B Q92831 1/20 0.44
KAT5 Q92993 1/20 0.44
SAE1 Q9UBE0 1/20 0.44

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
SCHEMBL10426325 1.00 CNR1 (0.57) CNR1CNR2ALOX5PTGS2BID
SCHEMBL29508273 1.00 CNR1 (0.57) CNR1CNR2ALOX5PTGS2BID
SCHEMBL8757422 1.00 CNR1 (0.57) CNR1CNR2ALOX5PTGS2BID
SCHEMBL677347 1.00 CNR1 (0.57) CNR1CNR2ALOX5PTGS2BID
SCHEMBL25382247 0.93 CNR1 (0.50) CNR1CNR2ALOX5PTGS2
Sulfuric Acid SCHEMBL27552495 0.92 CNR1 (0.54) CNR1CNR2ALOX5PTGS2BID
SCHEMBL17509786 0.92 CNR1 (0.51) CNR1CNR2ALOX5PTGS2BID
Sulfuric Acid SCHEMBL27552496 0.92 CNR1 (0.54) CNR1CNR2ALOX5PTGS2BID
Toluene SCHEMBL28294922 0.91 CNR1 (0.50) CNR1CNR2ALOX5PTGS2BID
SCHEMBL10345471 0.90 CNR1 (0.67) CNR1CNR2ALOX5PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102076839-A Surfactant gas pressurized liquid composition and method and package for delivering KIMBERLY CLARK CO 2011-05-25 CN claimed
CN-102076839-A Surfactant gas pressurized liquid composition and method and package for delivering KIMBERLY CLARK CO 2011-05-25 CN disclosed