SCHEMBL28980883

SCHEMBL28980883

CCCCCCOc1c(O)cccc1CC.CCCCCCOc1c(O)cccc1CC.Cc1cnnnc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.42
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
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
CNR2 P34972 1/20 0.35
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 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
SCHEMBL1984480 0.88 SOAT1 (0.41) SOAT1PPARA
SCHEMBL118832 0.88 SOAT1 (0.41) SOAT1PPARA
SCHEMBL2018229 0.88 SOAT1 (0.41) SOAT1BIDMCL1BCL2L1BAK1
SCHEMBL491259 0.88 SOAT1 (0.41) SOAT1CNR2MEN1CYP1A2CYP3A4
SCHEMBL27757965 0.82 SOAT1 (0.41) SOAT1BIDMCL1BCL2L1BAK1
SCHEMBL1419945 0.78 BID (0.49) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL17948237 0.78 SOAT1 (0.42) SOAT1CNR2MEN1CYP3A4KMT2A
SCHEMBL692632 0.78 SOAT1 (0.42) SOAT1CNR2MEN1CYP3A4KMT2A
SCHEMBL29286378 0.78 BID (0.42) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL27982523 0.77 SOAT1 (0.46) SOAT1PPARAMEN1CYP1A2CYP3A4

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
CN-112544571-B Establishment and application of caenorhabditis elegans model for evaluating safety and efficacy of sun-screening agent 上海应用技术大学 2023-03-03 CN disclosed