SCHEMBL7434150

SCHEMBL7434150

CCCCCc1ccc[c]c1CC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.40
ALOX5 P09917 1/20 0.36
PTGS2 P35354 1/20 0.36
KCNH2 Q12809 1/20 0.35
BID P55957 3/20 0.35
MCL1 Q07820 3/20 0.35
BCL2L1 Q07817 2/20 0.35
BAK1 Q16611 2/20 0.35
KAT8 Q9H7Z6 2/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
EP300 Q09472 1/20 0.35
KAT2A Q92830 1/20 0.35
KAT2B Q92831 1/20 0.35
KAT5 Q92993 1/20 0.35
SAE1 Q9UBE0 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
CYSLTR2 Q9NS75 2/20 0.34
CYSLTR1 Q9Y271 2/20 0.34

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
SCHEMBL7434000 0.98 LIPG (0.42) LIPGALOX5PTGS2KCNH2BID
SCHEMBL7428726 0.95 GABRA1 (0.35) LIPGALOX5PTGS2GABRA1GABRB2
SCHEMBL7428890 0.88 GABRA1 (0.37) GABRA1GABRB2
SCHEMBL406610 0.84 LIPG (0.46) LIPGALOX5PTGS2KCNH2BID
SCHEMBL3776947 0.83 LIPG (0.41) LIPGALOX5PTGS2KCNH2BID
SCHEMBL21523355 0.83 LIPG (0.49) LIPGALOX5PTGS2KCNH2BID
SCHEMBL21523331 0.83 LIPG (0.49) LIPGALOX5PTGS2KCNH2BID
SCHEMBL21523321 0.83 LIPG (0.49) LIPGALOX5PTGS2KCNH2BID
SCHEMBL21523356 0.83 LIPG (0.49) LIPGALOX5PTGS2KCNH2BID
SCHEMBL21523320 0.83 LIPG (0.49) LIPGALOX5PTGS2KCNH2BID

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-1212306-A2 HYDROXYALKANOYLAMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF ABETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2002-06-12 EP disclosed
WO-2001019797-A2 HYDROXYALKANOYL AMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF Aβ PROTEIN PRODUCTION DU PONT PHARMACEUTICALS COMPANY (US) 2001-03-22 WO disclosed