SCHEMBL5589067

SCHEMBL5589067

CCCCCCCCOc1c(O)c(O)c(C(=O)O)c(CCCCCCCC)c1OCCCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
PPARA Q07869 2/20 0.43
PPARG P37231 1/20 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
PLA2G2A P14555 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
THRA P10827 2/20 0.43
THRB P10828 2/20 0.43
PLA2G4B P0C869 1/20 0.42
RARB P10826 3/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL5586894 1.00 BID (0.43) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL5590322 1.00 BID (0.43) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL5587487 1.00 BID (0.43) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL5588893 1.00 BID (0.43) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL5588423 1.00 BID (0.43) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL5587602 1.00 BID (0.43) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL5586841 1.00 BID (0.43) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL5586986 1.00 BID (0.43) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL5590444 1.00 BID (0.43) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL5588717 1.00 BID (0.43) BIDMCL1BCL2L1BAK1KAT8

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-1472217-B1 METHOD FOR PRODUCING PERFLUOROALKANE SULFONIC ACID ESTERS AND THE SALTS THEREOF MERCK PATENT GMBH (DE) 2007-01-24 EP claimed