SCHEMBL30925323

SCHEMBL30925323

CC(O)C(CN[C@@H](CO)C(=O)O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.39
MME P08473 5/20 0.38
FOLH1 Q04609 2/20 0.33
NAALAD2 Q9Y3Q0 2/20 0.33
OR51E2 Q9H255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL21451346 0.79 MME (0.46) TGFBR1MMEFOLH1NAALAD2ALDH1A1
SCHEMBL23052781 0.79 MME (0.46) TGFBR1MMEFOLH1NAALAD2ALDH1A1
SCHEMBL21451281 0.79 MME (0.46) TGFBR1MMEFOLH1NAALAD2ALDH1A1
SCHEMBL23052826 0.76 TGFBR1 (0.41) TGFBR1MMEFOLH1NAALAD2ALDH1A1
SCHEMBL5712807 0.75 TGFBR1 (0.42) TGFBR1MMEOR51E2ALDH1A1
SCHEMBL5712806 0.75 TGFBR1 (0.42) TGFBR1MMEOR51E2ALDH1A1
SCHEMBL147537 0.74
SCHEMBL8384843 0.74
SCHEMBL1923394 0.74
SCHEMBL22487801 0.73 TGFBR1 (0.47) TGFBR1MMEFOLH1NAALAD2ALDH1A1

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-113423470-B Cosmetic compounding agent, cosmetic, and method for producing same 三吉油脂株式会社 2024-07-09 CN disclosed