SCHEMBL6562051

SCHEMBL6562051

CCCCCCCCC=CC(=O)N[C@@H](CCSC)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 2/20 0.48
HDAC2 Q92769 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
NOD1 Q9Y239 1/20 0.42
FAAH O00519 2/20 0.41
LMNA P02545 1/20 0.41
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
EPHX2 P34913 2/20 0.40
PSMB11 A5LHX3 1/20 0.40
PSMA7 O14818 1/20 0.40
PSMB1 P20618 1/20 0.40
PSMA1 P25786 1/20 0.40
PSMA2 P25787 1/20 0.40
PSMA3 P25788 1/20 0.40
PSMA4 P25789 1/20 0.40
PSMB8 P28062 1/20 0.40
PSMB9 P28065 1/20 0.40
PSMA5 P28066 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
SCHEMBL18796609 1.00 SLC6A5 (0.48) SLC6A5HDAC2TAS1R3TAS1R1NOD1
SCHEMBL18796610 1.00 SLC6A5 (0.48) SLC6A5HDAC2TAS1R3TAS1R1NOD1
SCHEMBL8400344 0.99 SLC6A5 (0.46) SLC6A5HDAC2TAS1R3TAS1R1NOD1
SCHEMBL8400342 0.99 SLC6A5 (0.46) SLC6A5HDAC2TAS1R3TAS1R1NOD1
SCHEMBL31026963 0.90 CNR1 (0.50) SLC6A5HDAC2FAAHPPARG
SCHEMBL8399325 0.86 HDAC2 (0.47) HDAC2TAS1R3TAS1R1
SCHEMBL8399320 0.86 HDAC2 (0.47) HDAC2TAS1R3TAS1R1
SCHEMBL15846206 0.84 SLC6A5 (0.53) SLC6A5NOD1FAAHLMNAPPARG
SCHEMBL15846639 0.84 SLC6A5 (0.53) SLC6A5NOD1FAAHLMNAPPARG
SCHEMBL28739398 0.84 SLC6A5 (0.53) SLC6A5NOD1FAAHLMNAPPARG

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