SCHEMBL28901513

SCHEMBL28901513

COc1ccc(CN(CC(=O)O)C(=O)OCC2c3ccccc3-c3ccccc32)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ LMNA P02545 3/20 0.46
▸ HTT P42858 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ FABP5 Q01469 1/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ KDM4E B2RXH2 4/20 0.43
▸ TSHR P16473 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ TAS1R3 Q7RTX0 1/20 0.41
▸ TAS1R1 Q7RTX1 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ F2 P00734 1/20 0.38

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
SCHEMBL29363915 1.00 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2LMNAHTTL3MBTL1
SCHEMBL29401351 0.90 POLB (0.43) ALDH1A1SMN1; SMN2LMNAHTTL3MBTL1
SCHEMBL29004323 0.88 FABP5 (0.46) ALDH1A1SMN1; SMN2LMNAHTTL3MBTL1
SCHEMBL3700750 0.85 TDP1 (0.43) ALDH1A1SMN1; SMN2LMNAHTTL3MBTL1
SCHEMBL31370279 0.84 PPARG (0.45) ALDH1A1FABP5
SCHEMBL31688654 0.84 TAS2R14 (0.46) ALDH1A1
SCHEMBL29398220 0.82 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2LMNAHTTL3MBTL1
SCHEMBL29462650 0.82 PTPN1 (0.46) ALDH1A1SMN1; SMN2LMNAHTTL3MBTL1
SCHEMBL30883356 0.81 PTPN1 (0.38) ALDH1A1SMN1; SMN2LMNAHTTL3MBTL1
SCHEMBL1738792 0.80 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2LMNAHTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116546981-A Compositions and methods using at least one glycine or derivative thereof and/or at least one N-acetylcysteine or derivative thereof and at least one thymol and/or carvacrol 雀巢产品有限公司 2023-08-04 — — CN claimed
CN-116456965-A Compositions and methods using at least one glycine or derivative thereof and at least one large neutral amino acid and/or cationic amino acid or precursor thereof 雀巢产品有限公司 2023-07-18 — — CN claimed
CN-117940774-A Methods of using conjugated bile acids as biomarkers for detecting and/or quantifying mood disorders and/or mood disorder status improvement and improved methods and compositions thereof 雀巢产品有限公司 2024-04-26 — — CN disclosed
CN-116546981-A Compositions and methods using at least one glycine or derivative thereof and/or at least one N-acetylcysteine or derivative thereof and at least one thymol and/or carvacrol 雀巢产品有限公司 2023-08-04 — — CN disclosed
CN-114957044-B Synthesis method of N-fluorenylmethoxycarbonyl-N- (2, 4, 6-trimethoxybenzyl) glycine 吉尔多肽生物制药(大连市)有限公司 2023-07-21 — — CN disclosed
CN-116456965-A Compositions and methods using at least one glycine or derivative thereof and at least one large neutral amino acid and/or cationic amino acid or precursor thereof 雀巢产品有限公司 2023-07-18 — — CN disclosed
CN-115397261-A Nutritional products containing buffer compositions and amino acids and methods of using the same 雀巢产品有限公司 2022-11-25 — — CN disclosed
CN-115279361-A Compositions and methods comprising N-acetylcysteine and nicotinamide riboside for prevention and treatment of neurological diseases and disorders 雀巢产品有限公司 2022-11-01 — — CN disclosed
CN-114957044-A Synthesis method of N-fluorenylmethoxycarbonyl-N- (2, 4, 6-trimethoxybenzyl) glycine 吉尔多肽生物制药(大连市)有限公司 2022-08-30 — — CN disclosed
CN-114786689-A Compositions and methods for glutathione enhancement for use in brain health 雀巢产品有限公司 2022-07-22 — — CN disclosed
CN-114423304-A Compositions and methods for improvement and maintenance of weight loss 雀巢产品有限公司 2022-04-29 — — CN disclosed
CN-112804888-A Powders containing buffer salts and amino acids, reconstitution of such powders into nutritional products, and methods of using such nutritional products 雀巢产品有限公司 2021-05-14 — — CN disclosed
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