SCHEMBL6532974

SCHEMBL6532974

CCCCCc1cccc2c1Oc1c(CCCCC)cccc1C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.42
ALOX5 P09917 1/20 0.41
PTGS2 P35354 1/20 0.41
DRD2 P14416 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40
BID P55957 3/20 0.40
MCL1 Q07820 3/20 0.40
PPARA Q07869 3/20 0.40
BCL2L1 Q07817 2/20 0.40
BAK1 Q16611 2/20 0.40
KAT8 Q9H7Z6 2/20 0.40
PPARG P37231 2/20 0.40
EP300 Q09472 1/20 0.40
KAT2A Q92830 1/20 0.40
KAT2B Q92831 1/20 0.40
KAT5 Q92993 1/20 0.40
SAE1 Q9UBE0 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
SCHEMBL22484541 0.84 MAOA (0.47) LIPGALOX5PTGS2DRD2SLC6A2
SCHEMBL9440579 0.78 LIPG (0.45) LIPGALOX5PTGS2BIDMCL1
SCHEMBL28222763 0.77 LIPG (0.46) LIPGALOX5PTGS2BIDMCL1
SCHEMBL10555593 0.76 LIPG (0.46) LIPGALOX5PTGS2BIDMCL1
SCHEMBL29432879 0.75 LIPG (0.49) LIPGALOX5PTGS2BIDMCL1
SCHEMBL18153979 0.75 LIPG (0.49) LIPGALOX5PTGS2BIDMCL1
SCHEMBL7054345 0.75 LIPG (0.49) LIPGALOX5PTGS2BIDMCL1
SCHEMBL4647095 0.74 MTNR1A (0.39) LIPGALOX5PTGS2HTR2AHTR2C
SCHEMBL2416249 0.73 LIPG (0.44) LIPGALOX5PTGS2DRD2SLC6A2
SCHEMBL15676567 0.73 OXTR (0.40) LIPGALOX5PTGS2BIDMCL1

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
WO-2005063730-A1 METHOD FOR THE PRODUCTION OF XANTHENE-4,5-DIOLES SUBSTITUTED IN POSITION 2.7 BASF AKTIENGESELLSCHAFT (DE) 2005-07-14 WO disclosed