SCHEMBL28057111

SCHEMBL28057111

CCCCCCCCCCCCCCCCCC(=O)OC(=O)CCCCCCC/C=C\C[C@H](O)CCCCCC.[NaH].[NaH]

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.72
FFAR4 Q5NUL3 1/20 0.72
FAAH O00519 2/20 0.63
DGKA P23743 1/20 0.56
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
LPAR1 Q92633 6/20 0.50
LPAR4 Q99677 3/20 0.50
LPAR2 Q9HBW0 3/20 0.50
LPAR3 Q9UBY5 3/20 0.50
ENPP2 Q13822 2/20 0.50
LPAR5 Q9H1C0 2/20 0.50
TRPV1 Q8NER1 2/20 0.50
CES2 O00748 1/20 0.50
LPAR6 P43657 1/20 0.50
TERT O14746 2/20 0.47
GMNN O75496 1/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL28322561 1.00 FFAR1 (0.72) FFAR1FFAR4FAAHDGKANFKB1
SCHEMBL25236158 0.99 FFAR1 (0.71) FFAR1FFAR4FAAHDGKANFKB1
SCHEMBL1615525 0.99 FFAR1 (0.74) FFAR1FFAR4FAAHDGKANFKB1
SCHEMBL2187986 0.99 FFAR1 (0.74) FFAR1FFAR4FAAHDGKANFKB1
SCHEMBL1938968 0.99 FFAR1 (0.74) FFAR1FFAR4FAAHDGKANFKB1
SCHEMBL2188332 0.99 FFAR1 (0.74) FFAR1FFAR4FAAHDGKANFKB1
SCHEMBL270143 0.99 FFAR1 (0.74) FFAR1FFAR4FAAHDGKANFKB1
SCHEMBL22660218 0.99 FFAR1 (0.74) FFAR1FFAR4FAAHDGKANFKB1
SCHEMBL21314220 0.99 FFAR1 (0.74) FFAR1FFAR4FAAHDGKANFKB1
SCHEMBL1573597 0.99 FFAR1 (0.74) FFAR1FFAR4FAAHDGKANFKB1

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-105555850-A Polyester polyol and polyol blends and rigid polyurethane foam manufacturing DOW GLOBAL TECHNOLOGIES INC 2016-05-04 CN disclosed