SCHEMBL6581938

SCHEMBL6581938

CC(C)C[C@H](N)C(=O)N([N+]=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LARS1 Q9P2J5 3/20 0.47
ANPEP P15144 2/20 0.43
RNPEP Q9H4A4 1/20 0.43
DNPEP Q9ULA0 1/20 0.43
SLC7A5 Q01650 1/20 0.42
LTA4H P09960 1/20 0.40
ELANE P08246 1/20 0.40
GPR88 Q9GZN0 1/20 0.39
AAK1 Q2M2I8 2/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LAP3 P28838 1/20 0.36
SCN9A Q15858 1/20 0.35

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
SCHEMBL18342512 0.82 ALDH1A1 (0.38) ELANEALDH1A1LMNATP53SMN1; SMN2
SCHEMBL3834508 0.81 LTA4H (0.38) SLC7A5LTA4HALDH1A1
SCHEMBL11212470 0.81 LARS1 (0.48) LARS1ANPEPRNPEPDNPEPSLC7A5
SCHEMBL8663901 0.80 SLC7A5 (0.54) ANPEPSLC7A5LTA4HLAP3
SCHEMBL5676105 0.80 SLC7A5 (0.36) SLC7A5ALDH1A1LMNATP53SMN1; SMN2
SCHEMBL3192649 0.79 CYP1A2 (0.42) LTA4HALDH1A1LMNA
SCHEMBL8074243 0.76 GPR88 (0.44) LARS1ANPEPRNPEPDNPEPGPR88
SCHEMBL8074241 0.76 GPR88 (0.44) LARS1ANPEPRNPEPDNPEPGPR88
SCHEMBL11095620 0.75 LARS1 (0.43) LARS1ANPEPRNPEPDNPEPSLC7A5
SCHEMBL851646 0.74 LARS1 (0.42) LARS1ANPEPRNPEPDNPEPSLC7A5

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
US-6800467-B1 USEFUL AS FLAVOR IMPROVING AGENTS FOR FOOD PRODUCTS (SOUPS, SAUCES, SEASONINGS); PROTEIN HYDROLYSIS; OBTAINED FROM ASPERGILLUS, ESCHERICHIA NOVOZYMES BIOTECH, INC. 2004-10-05 US disclosed