SCHEMBL28824310

SCHEMBL28824310

CC(C)CC(NCC(N)C(C)C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.47
LAP3 P28838 3/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
SLC7A5 Q01650 1/20 0.45
FOLH1 Q04609 2/20 0.41
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
LTA4H P09960 1/20 0.39
ANPEP P15144 1/20 0.38
DNPEP Q9ULA0 1/20 0.38
PLA2G2A P14555 1/20 0.37
PLA2G5 P39877 1/20 0.37
GRN P28799 1/20 0.37
SORT1 Q99523 1/20 0.37

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
SCHEMBL73762 0.82 MAPT (0.60) ALDH1A1MAPTLAP3MEN1LMNA
SCHEMBL2121537 0.82 MAPT (0.60) ALDH1A1MAPTLAP3MEN1LMNA
SCHEMBL5870000 0.79 ALDH1A1 (0.53) ALDH1A1MAPTLAP3MEN1LMNA
SCHEMBL6374257 0.79 ALDH1A1 (0.53) ALDH1A1MAPTLAP3MEN1LMNA
SCHEMBL17453297 0.76 SLC7A5 (0.41) SLC7A5SLC1A3SLC1A2
SCHEMBL7369923 0.76 ALDH1A1 (0.50) ALDH1A1MAPTLAP3MEN1LMNA
SCHEMBL7369922 0.76 ALDH1A1 (0.50) ALDH1A1MAPTLAP3MEN1LMNA
SCHEMBL6010360 0.74 ALDH1A1 (0.48) ALDH1A1MAPTLAP3MEN1LMNA
SCHEMBL28205062 0.74 ALDH1A1 (0.48) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL6010370 0.74 ALDH1A1 (0.48) ALDH1A1MAPTLAP3MEN1LMNA

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
CN-109329869-B Soy sauce delicate flavour base material and preparation method thereof 佛山市海天(高明)调味食品有限公司 2022-07-29 CN disclosed