SCHEMBL3767446

SCHEMBL3767446

CCCCCC/C=C/CCCCCC(CCCCC)NC(=O)OC(C)C

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.47
FAAH O00519 1/20 0.44
PLA2G10 O15496 1/20 0.44
SLC6A5 Q9Y345 1/20 0.43
LPAR3 Q9UBY5 1/20 0.43
CNR1 P21554 4/20 0.43

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
SCHEMBL3767450 1.00 ALOX15 (0.47) ALOX15FAAHPLA2G10SLC6A5LPAR3
SCHEMBL4551744 0.86 TERT (0.46) ALOX15FAAHSLC6A5
SCHEMBL4551745 0.86 TERT (0.46) ALOX15FAAHSLC6A5
SCHEMBL5694900 0.84 FAAH (0.51) ALOX15FAAHSLC6A5
SCHEMBL1941197 0.81 CTSK (0.46)
SCHEMBL1941195 0.81 CTSK (0.46)
SCHEMBL4758573 0.80 TERT (0.53) ALOX15FAAHPLA2G10SLC6A5
SCHEMBL4758572 0.80 TERT (0.53) ALOX15FAAHPLA2G10SLC6A5
SCHEMBL1942212 0.79 EPHX2 (0.45) FAAHSLC6A5LPAR3
SCHEMBL6025142 0.79 SLC6A5 (0.41) ALOX15FAAHSLC6A5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2033654-B1 Process for resolving a mixture of alkyl ester enantiomers using an enzyme BRISTOL MYERS SQUIBB CO (US) 2012-05-16 EP disclosed
EP-2033654-A1 Macrocyclic isoquinoline peptide inhibitors of hepatitis c virus Bristol-Myers Squibb Company (US) 2009-03-11 EP disclosed
EP-1629000-B1 MACROCYCLIC ISOQUINOLINE PEPTIDE INHIBITORS OF HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2009-02-18 EP disclosed