SCHEMBL13933131

SCHEMBL13933131

CCCCCCOCCOCCOC(=O)CCCCCCCCCCOc1ccc(N)nc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DGKA P23743 1/20 0.50
▸ PLA2G4B P0C869 4/20 0.46
▸ CNR2 P34972 3/20 0.44
▸ TP53 P04637 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ TLR2 O60603 1/20 0.43
▸ NFKB1 P19838 3/20 0.43
▸ NFKB2 Q00653 3/20 0.43
▸ RELA Q04206 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ PRSS1 P07477 1/20 0.42
▸ PRSS2 P07478 1/20 0.42
▸ PRSS3 P35030 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ P2RY10 O00398 1/20 0.42
▸ RARB P10826 1/20 0.41

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
SCHEMBL13933126 0.93 DGKA (0.51) DGKAPLA2G4BCNR2TP53TSHR
SCHEMBL13933102 0.87 MAPT (0.52) DGKAPLA2G4BCNR2TP53TSHR
SCHEMBL13933137 0.86 DGKA (0.54) DGKAPLA2G4BCNR2PRSS1PRSS2
SCHEMBL13933080 0.85 DGKA (0.55) DGKAPLA2G4BCNR2TP53TSHR
SCHEMBL14566053 0.81 DGKA (0.57) DGKAPLA2G4BCNR2TP53TSHR
SCHEMBL13854770 0.81 DGKA (0.57) DGKAPLA2G4BCNR2TP53TSHR
SCHEMBL13933127 0.81 CYP3A4 (0.57) CNR2TSHRTLR2LMNAPRSS1
SCHEMBL13933123 0.81 PDE3B (0.48) LMNAMAPT
SCHEMBL13612539 0.79 DGKA (0.54) DGKAPLA2G4BCNR2TP53TSHR
SCHEMBL14163924 0.79 DGKA (0.54) DGKAPLA2G4BCNR2TP53TSHR

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
US-7485604-B2 Lubricant composition and method for using and preparing thereof FUJIFILM CORPORATION (JP) 2009-02-03 — — US disclosed
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