SCHEMBL29063044

SCHEMBL29063044

CCCCCCCCCCCCCCCCCCN(OC(=O)CC)OC(=O)CC.[NaH].[NaH]

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.48
DNM1 Q05193 6/20 0.44
DGKA P23743 1/20 0.39
KDM5A P29375 1/20 0.37
LMNA P02545 2/20 0.37
CES2 O00748 3/20 0.37
CES1 P23141 3/20 0.37
PAM P19021 2/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
SLC22A8 Q8TCC7 1/20 0.35
GPR84 Q9NQS5 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
SCHEMBL29081031 1.00 NAAA (0.48) NAAADNM1DGKAKDM5ALMNA
SCHEMBL21749894 1.00 NAAA (0.48) NAAADNM1DGKAKDM5ALMNA
SCHEMBL21383406 1.00 NAAA (0.48) NAAADNM1DGKAKDM5ALMNA
SCHEMBL3052145 0.98 NAAA (0.50) NAAADNM1DGKAKDM5ALMNA
SCHEMBL25211926 0.98 NAAA (0.50) NAAADNM1DGKAKDM5ALMNA
SCHEMBL25196488 0.98 NAAA (0.50) NAAADNM1DGKAKDM5ALMNA
SCHEMBL25218755 0.98 NAAA (0.50) NAAADNM1DGKAKDM5ALMNA
SCHEMBL2119448 0.98 NAAA (0.50) NAAADNM1DGKAKDM5ALMNA
SCHEMBL25198827 0.98 NAAA (0.50) NAAADNM1DGKAKDM5ALMNA
SCHEMBL168800 0.96 NAAA (0.48) NAAADNM1DGKAKDM5ALMNA

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-116669687-A Antimicrobial compositions 科莱恩国际有限公司 2023-08-29 CN disclosed