SCHEMBL23935358

SCHEMBL23935358

CNC(=O)c1ccc(CCC(N)C(=O)O)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
GRIK1 P39086 1/20 0.45
GRIA1 P42261 1/20 0.45
GRIA2 P42262 1/20 0.45
GRIA3 P42263 1/20 0.45
GRIA4 P48058 1/20 0.45
GRIK2 Q13002 1/20 0.45
GRIK3 Q13003 1/20 0.45
SLC7A5 Q01650 1/20 0.42
ALOX5 P09917 1/20 0.42
OR51E2 Q9H255 1/20 0.42
GRM8 O00222 1/20 0.42
GRM4 Q14833 1/20 0.42
LDHA P00338 1/20 0.42
ALDH1A1 P00352 4/20 0.41
HPGD P15428 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL22108667 1.00 MEN1 (0.46) MEN1KMT2APPARGPPARAGRIK1
SCHEMBL29633929 1.00 MEN1 (0.46) MEN1KMT2APPARGPPARAGRIK1
SCHEMBL22108676 1.00 MEN1 (0.46) MEN1KMT2APPARGPPARAGRIK1
SCHEMBL22108723 0.93 PPARG (0.49) MEN1KMT2APPARGPPARASLC7A5
SCHEMBL22444784 0.90 PPARA (0.47) PPARGPPARAGRIK1GRIA1GRIA2
SCHEMBL22108691 0.87 SLC7A5 (0.56) MEN1KMT2APPARGPPARASLC7A5
SCHEMBL22444859 0.87 SLC7A5 (0.56) MEN1KMT2APPARGPPARASLC7A5
SCHEMBL22444731 0.86 ADRB3 (0.51) MEN1KMT2APPARGPPARAGRIK1
SCHEMBL22108672 0.85 MEN1 (0.46) MEN1KMT2APPARGPPARAALOX5
SCHEMBL22108675 0.85 MEN1 (0.46) MEN1KMT2APPARGPPARAALOX5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118184532-A Amino acid having functional group capable of forming intramolecular hydrogen bond, peptide compound containing the amino acid, and process for producing the same 中外制药株式会社 2024-06-14 CN disclosed
CN-113692401-A Process for producing aromatic amino acid derivative 中外制药株式会社 2021-11-23 CN disclosed
EP-3896056-A1 AMINO ACID HAVING FUNCTIONAL GROUP CAPABLE OF INTERMOLECULAR HYDROGEN BONDING, PEPTIDE COMPOUND CONTAINING SAME AND METHOD FOR PRODUCTION THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2021-10-20 EP disclosed