SCHEMBL5712142

SCHEMBL5712142

CC(C)(C)OC(=O)N(C(=O)OCc1ccccc1)C(CCCN)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 2/20 0.52
TPSD1 Q9BZJ3 2/20 0.52
TPSG1 Q9NRR2 2/20 0.52
EPOR P19235 2/20 0.43
L3MBTL1 Q9Y468 4/20 0.42
FOLH1 Q04609 2/20 0.40
SYK P43405 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
LTA4H P09960 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PPARA Q07869 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37

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
SCHEMBL28480221 1.00 TPSAB1 (0.52) TPSAB1TPSD1TPSG1EPORL3MBTL1
SCHEMBL1021829 1.00 TPSAB1 (0.52) TPSAB1TPSD1TPSG1EPORL3MBTL1
SCHEMBL375887 0.97 TPSAB1 (0.53) TPSAB1TPSD1TPSG1EPORL3MBTL1
SCHEMBL4150947 0.97 TPSAB1 (0.53) TPSAB1TPSD1TPSG1EPORL3MBTL1
SCHEMBL3820596 0.97 TPSAB1 (0.53) TPSAB1TPSD1TPSG1EPORL3MBTL1
SCHEMBL7785865 0.93 TPSAB1 (0.46) TPSAB1TPSD1TPSG1EPORL3MBTL1
SCHEMBL9574165 0.91 EPOR (0.46) TPSAB1TPSD1TPSG1EPORL3MBTL1
SCHEMBL4852056 0.91 EPOR (0.46) TPSAB1TPSD1TPSG1EPORL3MBTL1
SCHEMBL10477497 0.91 EPOR (0.46) TPSAB1TPSD1TPSG1EPORL3MBTL1
SCHEMBL7785339 0.90 TPSAB1 (0.47) TPSAB1TPSD1TPSG1EPORL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112110834-A Modified hydrophobic auxiliary material and preparation method and application thereof 浙江智达药业有限公司 2020-12-22 CN claimed
CN-112110834-A Modified hydrophobic auxiliary material and preparation method and application thereof 浙江智达药业有限公司 2020-12-22 CN disclosed
CN-111848544-A Amino acid derivative capable of being traced by fluorescence and preparation method and application thereof 首都医科大学 2020-10-30 CN disclosed
EP-1258476-B1 Alpha-amino acid derivatives, method for their preparation and their use as dipeptidyl-peptidase IV inhibitors (DPP IV) SERVIER LAB (FR) 2006-06-28 EP disclosed
EP-1245568-B1 Sulfonyl derivatives of amino acids and their use as inhibitors of dipeptidyl-peptidase IV (DPP IV) SERVIER LAB (FR) 2006-01-18 EP disclosed