SCHEMBL6884343

SCHEMBL6884343

CCCCC(C)Nc1c(O)cccc1CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 1/20 0.40
BID P55957 3/20 0.39
MCL1 Q07820 3/20 0.39
BCL2L1 Q07817 2/20 0.39
BAK1 Q16611 2/20 0.39
KAT8 Q9H7Z6 2/20 0.39
IAPP P10997 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
EP300 Q09472 1/20 0.39
KAT2A Q92830 1/20 0.39
KAT2B Q92831 1/20 0.39
KAT5 Q92993 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
TSHR P16473 1/20 0.38
HTT P42858 2/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 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
SCHEMBL7772060 0.91 GABRA1 (0.41) BIDMCL1BCL2L1BAK1IAPP
SCHEMBL7771772 0.90 TYR (0.41) RPS6KB1BIDMCL1BCL2L1BAK1
SCHEMBL6885044 0.84 TYR (0.41) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL6885297 0.80 IAPP (0.36) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL8077425 0.75 TYR (0.45) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL17467884 0.74 POLB (0.46) RPS6KB1MEN1ALDH1A1MAPTKMT2A
SCHEMBL4229486 0.74 IDO1 (0.42) RPS6KB1TSHRADRB2POLB
SCHEMBL22035370 0.73 IAPP (0.46) IAPPMEN1KMT2AADRB2POLB
SCHEMBL11405356 0.73 IDO1 (0.49) RPS6KB1EP300ALDH1A1KMT2AADRB2
SCHEMBL27403528 0.72 ADRB2 (0.43) RPS6KB1TSHRMEN1ALDH1A1MAPT

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