SCHEMBL9752255

SCHEMBL9752255

CCCCCCCCCCCC(=O)N[C@H](CCS)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 12/20 0.74
SLC6A5 Q9Y345 2/20 0.59
FAAH O00519 2/20 0.54
MEN1 O00255 1/20 0.54
MAPK1 P28482 1/20 0.54
KMT2A Q03164 1/20 0.54
PLA2G2C Q5R387 1/20 0.53
EPHX2 P34913 3/20 0.50

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
SCHEMBL15544362 1.00 NOD1 (0.74) NOD1SLC6A5FAAHMEN1MAPK1
SCHEMBL9752230 1.00 NOD1 (0.74) NOD1SLC6A5FAAHMEN1MAPK1
SCHEMBL9752247 1.00 NOD1 (0.74) NOD1SLC6A5FAAHMEN1MAPK1
SCHEMBL9752251 1.00 NOD1 (0.74) NOD1SLC6A5FAAHMEN1MAPK1
SCHEMBL361081 1.00 NOD1 (0.74) NOD1SLC6A5FAAHMEN1MAPK1
SCHEMBL16190327 1.00 NOD1 (0.74) NOD1SLC6A5FAAHMEN1MAPK1
SCHEMBL16190302 1.00 NOD1 (0.74) NOD1SLC6A5FAAHMEN1MAPK1
SCHEMBL9752254 1.00 NOD1 (0.74) NOD1SLC6A5FAAHMEN1MAPK1
SCHEMBL16190303 1.00 NOD1 (0.74) NOD1SLC6A5FAAHMEN1MAPK1
SCHEMBL9752248 1.00 NOD1 (0.74) NOD1SLC6A5FAAHMEN1MAPK1

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
WO-1991010421-A1 USE OF N-ACYL DERIVATIVES OF HOMOCYSTEINE TO MODIFY THE STRUCTURE OF KERATIN AND COSMETIC COMPOSITIONS CONTAINING THESE DERIVATIVES RECKITT & COLMAN (FR) 1991-07-25 WO claimed