SCHEMBL28757793

SCHEMBL28757793

CCOC(=O)CCC(NC(=O)c1ccc(CCCC=O)cc1)C(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ KMT2A Q03164 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ DHFR P00374 3/20 0.44
▸ TAS1R3 Q7RTX0 1/20 0.43
▸ TAS1R1 Q7RTX1 1/20 0.43
▸ CYP4Z1 Q86W10 2/20 0.42
▸ CYP4F11 Q9HBI6 1/20 0.42
▸ CYP4F12 Q9HCS2 1/20 0.42
▸ MAPK1 P28482 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TDP1 Q9NUW8 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
SCHEMBL7571102 0.93 L3MBTL1 (0.53) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL27905011 0.87 TAS1R3 (0.50) L3MBTL1KMT2ATAS1R3TAS1R1GAA
SCHEMBL27725302 0.87 TAS1R3 (0.50) L3MBTL1KMT2ATAS1R3TAS1R1GAA
SCHEMBL7848147 0.85 L3MBTL1 (0.46) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7848146 0.85 L3MBTL1 (0.46) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL27584197 0.85 L3MBTL1 (0.65) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL10758630 0.84 L3MBTL1 (0.55) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8855296 0.83 L3MBTL1 (0.49) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL10965936 0.83 L3MBTL1 (0.58) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6312460 0.82 L3MBTL1 (0.57) L3MBTL1KDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100376546-C Diethyl 4(4-oxobutyl) benzoyl-L-glutamate and its preparation and use UNIV ZHEJIANG POLYTECHNIC (CN) 2008-03-26 — — CN claimed
CN-1821219-A Diethyl 4(4-oxobutyl) benzoyl-L-glutamate and its preparation and use UNIV ZHEJIANG POLYTECHNIC (CN) 2006-08-23 — — CN claimed
CN-100376546-C Diethyl 4(4-oxobutyl) benzoyl-L-glutamate and its preparation and use UNIV ZHEJIANG POLYTECHNIC (CN) 2008-03-26 — — CN disclosed
CN-1821219-A Diethyl 4(4-oxobutyl) benzoyl-L-glutamate and its preparation and use UNIV ZHEJIANG POLYTECHNIC (CN) 2006-08-23 — — CN disclosed
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