SCHEMBL6562048

SCHEMBL6562048

C=CCCCCCCCCC(=O)NC(CCSC)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FNTA P49354 5/20 0.56
FNTB P49356 5/20 0.56
PGGT1B P53609 1/20 0.54
SLC6A5 Q9Y345 2/20 0.49
NOD1 Q9Y239 3/20 0.49
ALDH1A1 P00352 1/20 0.45
HDAC2 Q92769 1/20 0.43
ABCC4 O15439 1/20 0.42
MAPT P10636 1/20 0.42
FAAH O00519 2/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL7081466 0.89 FNTA (0.50) FNTAFNTBPGGT1BALDH1A1HDAC2
SCHEMBL7081469 0.89 FNTA (0.50) FNTAFNTBPGGT1BALDH1A1HDAC2
SCHEMBL16489771 0.86 SLC6A5 (0.58) FNTAFNTBPGGT1BSLC6A5NOD1
SCHEMBL2894648 0.86 SLC6A5 (0.59) SLC6A5NOD1ALDH1A1ABCC4MAPT
SCHEMBL2897531 0.86 SLC6A5 (0.59) SLC6A5NOD1ALDH1A1ABCC4MAPT
SCHEMBL24961510 0.84 FNTA (0.62) FNTAFNTBPGGT1BSLC6A5NOD1
SCHEMBL11418516 0.84 SLC6A5 (0.70) FNTAFNTBPGGT1BSLC6A5NOD1
SCHEMBL5069979 0.84 SLC6A5 (0.70) FNTAFNTBPGGT1BSLC6A5NOD1
SCHEMBL22424713 0.84 SLC6A5 (0.70) FNTAFNTBPGGT1BSLC6A5NOD1
SCHEMBL20398927 0.84 SLC6A5 (0.70) FNTAFNTBPGGT1BSLC6A5NOD1

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
EP-0983055-B1 COMPOSITION COMPRISING AN AMINO ACID N-UNDECYLENOYL; APPLICATION IN COSMETICS SEPPIC SA (FR) 2004-04-14 EP disclosed