SCHEMBL29080980

SCHEMBL29080980

CCCCN[C@@H](CCC(N)=O)C(=O)OCCCC

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 5/20 0.43
ACHE P22303 7/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
ATM Q13315 1/20 0.36

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
SCHEMBL27812060 0.91 NOD1 (0.46) NOD1ACHENPSR1
SCHEMBL2120818 0.88 NOD1 (0.44) NOD1ACHE
SCHEMBL20511465 0.88 NOD1 (0.37) NOD1ACHEALDH1A1MAPTRAB9A
SCHEMBL3228662 0.88 NOD1 (0.42) NOD1KMT2A
SCHEMBL27631472 0.84 L3MBTL1 (0.34) NOD1ALDH1A1KMT2APOLB
SCHEMBL28223725 0.84 NOD1 (0.47) NOD1ACHENPSR1KMT2A
SCHEMBL4556278 0.83 NOD1 (0.44) NOD1KMT2A
SCHEMBL24525599 0.82 NOD1 (0.45) NOD1KMT2A
SCHEMBL468917 0.82 NOD1 (0.45) NOD1ALDH1A1MAPTRAB9ANPSR1
SCHEMBL468919 0.82 NOD1 (0.45) NOD1ALDH1A1MAPTRAB9ANPSR1

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-116829117-A Composition in the form of a stable macroemulsion comprising greater than or equal to 95% of ingredients of natural origin according to ISO standard 16128 卡普苏姆公司 2023-09-29 CN disclosed