SCHEMBL1402250

SCHEMBL1402250

CC(C)CCCCCCc1c(O)cccc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.39
EPAS1 Q99814 2/20 0.39
AKT1 P31749 1/20 0.38
BID P55957 3/20 0.36
MCL1 Q07820 3/20 0.36
BCL2L1 Q07817 2/20 0.36
BAK1 Q16611 2/20 0.36
KAT8 Q9H7Z6 2/20 0.36
OPRM1 P35372 2/20 0.36
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
EP300 Q09472 1/20 0.36
KAT2A Q92830 1/20 0.36
KAT2B Q92831 1/20 0.36
KAT5 Q92993 1/20 0.36
SAE1 Q9UBE0 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35

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
SCHEMBL1402309 1.00 HIF1A (0.39) HIF1AEPAS1AKT1BIDMCL1
SCHEMBL11574798 0.92 AKT1 (0.40) AKT1OPRM1OPRD1OPRK1GABRA1
SCHEMBL29180390 0.91 TRPA1 (0.39) HIF1AEPAS1AKT1BIDMCL1
SCHEMBL340912 0.90 BID (0.42) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL258767 0.90 BID (0.42) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL258691 0.90 BID (0.42) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL8991619 0.88 HIF1A (0.41) HIF1AEPAS1AKT1OPRM1OPRD1
SCHEMBL31564929 0.88 BID (0.41) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL11883257 0.87 BID (0.43) HIF1AEPAS1BIDMCL1BCL2L1
SCHEMBL11635259 0.87 P4HB (0.35) HIF1AEPAS1AKT1BIDMCL1

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-2292208-B1 EXTERNAL PREPARATION FOR SKIN SHISEIDO CO LTD (JP) 2017-07-19 EP disclosed
EP-2292208-A1 EXTERNAL PREPARATION FOR SKIN Shiseido Company, Ltd. (JP) 2011-03-09 EP disclosed