SCHEMBL29159462

SCHEMBL29159462

CCCCCCCCCCCCCCCC(O)CCCC=CCC(C)O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.56
FFAR4 Q5NUL3 2/20 0.56
FAAH O00519 3/20 0.50
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
GPR84 Q9NQS5 5/20 0.42
TRPV1 Q8NER1 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
PSMD14 O00487 2/20 0.40
PLA2G1B P04054 2/20 0.40
MMP2 P08253 2/20 0.40
ATG4B Q9Y4P1 2/20 0.40
HSP90AA1 P07900 1/20 0.40
RAD52 P43351 1/20 0.40
SPHK1 Q9NYA1 1/20 0.40
LTB4R Q15722 1/20 0.40

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
SCHEMBL812549 0.87 FFAR1 (0.60) FFAR1FFAR4FAAHGPR84TRPV1
SCHEMBL11775204 0.87 FFAR1 (0.51) FFAR1FFAR4FAAHTRPV1MMP2
SCHEMBL6308989 0.87 FFAR1 (0.51) FFAR1FFAR4FAAHTRPV1MMP2
SCHEMBL15226758 0.87 FFAR1 (0.60) FFAR1FFAR4FAAHGPR84TRPV1
SCHEMBL812063 0.87 FFAR1 (0.60) FFAR1FFAR4FAAHGPR84TRPV1
SCHEMBL6308991 0.87 FFAR1 (0.51) FFAR1FFAR4FAAHTRPV1MMP2
SCHEMBL812062 0.87 FFAR1 (0.60) FFAR1FFAR4FAAHGPR84TRPV1
SCHEMBL812548 0.87 FFAR1 (0.60) FFAR1FFAR4FAAHGPR84TRPV1
SCHEMBL6759521 0.85 FFAR1 (0.73) FFAR1FFAR4FAAHNFKB1NFKB2
SCHEMBL2826342 0.85 FFAR1 (0.62) FFAR1FFAR4FAAHGPR84TRPV1

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-117603293-A Novel structural compound combination for resisting monkey poxvirus and application thereof 电子科技大学长三角研究院(衢州) 2024-02-27 CN disclosed