SCHEMBL16489771

SCHEMBL16489771

CSCCCCCCC/C=C\CCCCCCCC(=O)NC(CCSC)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 3/20 0.58
FNTA P49354 5/20 0.56
FNTB P49356 5/20 0.56
PGGT1B P53609 1/20 0.54
EPHX2 P34913 2/20 0.49
NOD1 Q9Y239 2/20 0.49
HDAC2 Q92769 1/20 0.46
FAAH O00519 5/20 0.46

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
SCHEMBL5662643 0.92 SLC6A5 (0.70) SLC6A5FNTAFNTBPGGT1BEPHX2
SCHEMBL15650190 0.92 SLC6A5 (0.70) SLC6A5FNTAFNTBPGGT1BEPHX2
SCHEMBL11418516 0.92 SLC6A5 (0.70) SLC6A5FNTAFNTBPGGT1BEPHX2
SCHEMBL5662648 0.92 SLC6A5 (0.70) SLC6A5FNTAFNTBPGGT1BEPHX2
SCHEMBL11420979 0.92 SLC6A5 (0.70) SLC6A5FNTAFNTBPGGT1BEPHX2
SCHEMBL5662639 0.92 SLC6A5 (0.70) SLC6A5FNTAFNTBPGGT1BEPHX2
SCHEMBL5069979 0.92 SLC6A5 (0.70) SLC6A5FNTAFNTBPGGT1BEPHX2
SCHEMBL20398927 0.92 SLC6A5 (0.70) SLC6A5FNTAFNTBPGGT1BEPHX2
SCHEMBL22424713 0.92 SLC6A5 (0.70) SLC6A5FNTAFNTBPGGT1BEPHX2
SCHEMBL31027056 0.92 SLC6A5 (0.70) SLC6A5FNTAFNTBPGGT1BEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150050408-A1 Powder Flavour Composition GIVAUDAN SA (CH) 2015-02-19 US disclosed
US-20150050408-A1 Powder Flavour Composition GIVAUDAN SA (CH) 2015-02-19 US disclosed