SCHEMBL6885044

SCHEMBL6885044

CCCCc1cccc(O)c1NC(C)CCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.41
BID P55957 6/20 0.41
MCL1 Q07820 6/20 0.41
BCL2L1 Q07817 5/20 0.41
BAK1 Q16611 5/20 0.41
KAT8 Q9H7Z6 2/20 0.41
SAE1 Q9UBE0 2/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
EP300 Q09472 1/20 0.41
KAT2A Q92830 1/20 0.41
KAT2B Q92831 1/20 0.41
KAT5 Q92993 1/20 0.41
IAPP P10997 1/20 0.38
ELANE P08246 1/20 0.37
CTSG P08311 1/20 0.37
ALOX5 P09917 2/20 0.37
PTGS2 P35354 1/20 0.37
MMP2 P08253 2/20 0.36
F7 P08709 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
SCHEMBL7771772 0.94 TYR (0.41) TYRBIDMCL1BCL2L1BAK1
SCHEMBL6885297 0.91 IAPP (0.36) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL7772060 0.86 GABRA1 (0.41) BIDMCL1BCL2L1BAK1IAPP
SCHEMBL8077425 0.86 TYR (0.45) TYRBIDMCL1BCL2L1BAK1
SCHEMBL6884343 0.84 RPS6KB1 (0.40) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL8090927 0.78 TYR (0.41) TYRBIDMCL1BCL2L1BAK1
SCHEMBL8085497 0.76 TYR (0.47) TYRBIDMCL1BCL2L1BAK1
SCHEMBL6882798 0.76 IAPP (0.38) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL14125673 0.72 BID (0.45) TYRBIDMCL1BCL2L1BAK1
SCHEMBL28036103 0.71 BID (0.47) TYRBIDMCL1BCL2L1BAK1

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
EP-1442009-A1 PRODUCTION OF KETO ACIDS Ciba SC Holding AG (CH) 2004-08-04 EP disclosed
WO-2003037846-A1 PRODUCTION OF KETO ACIDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-05-08 WO disclosed