SCHEMBL29004324

SCHEMBL29004324

COc1cc(OC)c(CN(CC(=O)O)C(=O)OCc2cccc3c2Cc2ccccc2-3)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 11/20 0.48
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.40
▸ PDCD1 Q15116 1/20 0.40
▸ PTGDR2 Q9Y5Y4 3/20 0.36
▸ GYS1 P13807 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ TAS2R14 Q9NYV8 1/20 0.35
▸ PNMT P11086 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
SCHEMBL7641059 0.78 PNMT (0.42) CD274ALDH1A1PNMT
SCHEMBL31634803 0.77 PNMT (0.45) CD274PDCD1ALDH1A1SMN1; SMN2PNMT
Hydrochloric Acid SCHEMBL8854105 0.77 PNMT (0.46) CD274PNMT
SCHEMBL29004323 0.76 FABP5 (0.46) CD274GYS1ALDH1A1LMNAHTT
SCHEMBL7641055 0.74 PNMT (0.41) CD274ALDH1A1SMN1; SMN2PNMT
SCHEMBL8854133 0.72 NQO2 (0.39) PNMT
SCHEMBL10418084 0.72 CD274 (0.41) CD274HDAC1HDAC6PDCD1
SCHEMBL10417441 0.71 CD274 (0.42) CD274HDAC1HDAC6PDCD1
SCHEMBL26105549 0.71 ESR1 (0.47) ALDH1A1LMNAHTTSMN1; SMN2L3MBTL1
SCHEMBL1622969 0.71 PNMT (0.40) CD274PNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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-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-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-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-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-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
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