SCHEMBL28035802

SCHEMBL28035802

CCCCCCCCCCCCCCCCCCOC(=O)CCSSSSSSSSSSSSCCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.51
DGKA P23743 1/20 0.51
PLA2G4B P0C869 4/20 0.50
HTR2C P28335 1/20 0.50
FAAH O00519 1/20 0.47
PAM P19021 2/20 0.47
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
RAD52 P43351 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PPARG P37231 4/20 0.44
PPARD Q03181 4/20 0.44
PPARA Q07869 4/20 0.44
TSHR P16473 3/20 0.44
GPR84 Q9NQS5 3/20 0.44
HDAC11 Q96DB2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
SLC22A6 Q4U2R8 1/20 0.44

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
SCHEMBL31349193 0.94 NAAA (0.58) NAAADGKAPLA2G4BHTR2CFAAH
SCHEMBL31205753 0.92 NAAA (0.56) NAAADGKAPLA2G4BHTR2CPAM
SCHEMBL27450930 0.92 NAAA (0.56) NAAADGKAPLA2G4BHTR2CPAM
SCHEMBL5017797 0.87 PLA2G4B (0.64) NAAADGKAPLA2G4BHTR2CPAM
SCHEMBL1264406 0.87 PLA2G4B (0.64) NAAADGKAPLA2G4BHTR2CPAM
SCHEMBL5014061 0.87 PLA2G4B (0.64) NAAADGKAPLA2G4BHTR2CPAM
SCHEMBL5016253 0.87 PLA2G4B (0.64) NAAADGKAPLA2G4BHTR2CPAM
SCHEMBL5017820 0.87 PLA2G4B (0.64) NAAADGKAPLA2G4BHTR2CPAM
SCHEMBL5012947 0.87 PLA2G4B (0.64) NAAADGKAPLA2G4BHTR2CPAM
SCHEMBL294914 0.87 PLA2G4B (0.64) NAAADGKAPLA2G4BHTR2CPAM

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-105131410-A Chemical-corrosion-resistant cross-linked polyethylene material for nuclear power plant cables and preparation method therefor ANHUI CABLE CO LTD 2015-12-09 CN disclosed