SCHEMBL7054345

SCHEMBL7054345

CCCCCCc1cccc2c1O2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.49
BID P55957 3/20 0.45
MCL1 Q07820 3/20 0.45
PPARA Q07869 3/20 0.45
BCL2L1 Q07817 2/20 0.45
BAK1 Q16611 2/20 0.45
KAT8 Q9H7Z6 2/20 0.45
PPARG P37231 2/20 0.45
EP300 Q09472 1/20 0.45
KAT2A Q92830 1/20 0.45
KAT2B Q92831 1/20 0.45
KAT5 Q92993 1/20 0.45
SAE1 Q9UBE0 1/20 0.45
KCNH2 Q12809 2/20 0.44
ALOX5 P09917 1/20 0.44
PTGS2 P35354 1/20 0.44
CYP1A1 P04798 1/20 0.42
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
MTNR1A P48039 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
SCHEMBL18153979 1.00 LIPG (0.49) LIPGBIDMCL1PPARABCL2L1
SCHEMBL29432879 1.00 LIPG (0.49) LIPGBIDMCL1PPARABCL2L1
SCHEMBL28222763 0.98 LIPG (0.46) LIPGBIDMCL1PPARABCL2L1
SCHEMBL27483096 0.92 MTNR1A (0.41) LIPGBIDMCL1PPARABCL2L1
SCHEMBL5587846 0.87 ALOX5 (0.44) LIPGBIDMCL1PPARABCL2L1
SCHEMBL5587771 0.87 ALOX5 (0.44) LIPGBIDMCL1PPARABCL2L1
SCHEMBL5587849 0.87 ALOX5 (0.44) LIPGBIDMCL1PPARABCL2L1
SCHEMBL5587734 0.87 ALOX5 (0.44) LIPGBIDMCL1PPARABCL2L1
SCHEMBL5590559 0.85 ALOX5 (0.46) LIPGBIDMCL1PPARABCL2L1
SCHEMBL138232 0.84 AHR (0.38) CYP1A1MTNR1A

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-0611826-B1 Processes for production of optically active epoxides DAICEL CHEM (JP) 2003-05-02 EP disclosed