SCHEMBL29178917

SCHEMBL29178917

CC(NCC(O)O)C(=O)O.[KH]

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
MME P08473 3/20 0.34
ACE P12821 1/20 0.34
CPA1 P15085 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
APAF1 O14727 1/20 0.33
FAAH O00519 1/20 0.33
NR4A2 P43354 1/20 0.31

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
SCHEMBL4582880 0.98 TP53 (0.41) TP53CYP2D6CYP2C19MMEACE
SCHEMBL4582873 0.98 TP53 (0.41) TP53CYP2D6CYP2C19MMEACE
SCHEMBL29178997 0.95 TP53 (0.39) TP53CYP2D6CYP2C19MMEACE
SCHEMBL28674291 0.95 TP53 (0.39) TP53CYP2D6CYP2C19MMEACE
SCHEMBL6374401 0.83 TP53 (0.41) TP53CYP2D6CYP2C19MMEACE
SCHEMBL10084435 0.83 TP53 (0.41) TP53CYP2D6CYP2C19MMEACE
SCHEMBL22887450 0.83 TP53 (0.41) TP53CYP2D6CYP2C19MMEACE
SCHEMBL2559274 0.83 TP53 (0.41) TP53CYP2D6CYP2C19MMEACE
SCHEMBL574633 0.80 CYP2D6 (0.50) TP53CYP2D6CYP2C19MMEACE
SCHEMBL10954429 0.80 CYP2D6 (0.50) TP53CYP2D6CYP2C19MMEACE

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-114182389-B Preparation method of water-reduced sea-island fiber 上海华峰超纤科技股份有限公司 2024-03-01 CN disclosed