SCHEMBL27720507

SCHEMBL27720507

CC(=O)O[C@H]1CCCCN1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.47
EPHX1 P07099 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 1/20 0.41
PREP P48147 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
USP2 O75604 1/20 0.39
RECQL P46063 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL26603927 1.00 HPGD (0.47) HPGDEPHX1HSD17B10NPC1PREP
SCHEMBL27999183 0.95 HSD17B10 (0.48) HPGDEPHX1HSD17B10NPC1SMN1; SMN2
SCHEMBL5246013 0.88 HSD17B10 (0.47) HPGDEPHX1HSD17B10NPC1PREP
SCHEMBL10782598 0.88 HSD17B10 (0.47) HPGDEPHX1HSD17B10NPC1PREP
SCHEMBL28516773 0.84 HPGD (0.49) HPGDEPHX1HSD17B10NPC1PREP
SCHEMBL28100905 0.84 HPGD (0.49) HPGDEPHX1HSD17B10NPC1PREP
SCHEMBL12015364 0.81 RIPK1 (0.41) HPGDHSD17B10ALDH1A1
SCHEMBL16352852 0.80 HPGD (0.46) HPGDEPHX1HSD17B10NPC1PREP
SCHEMBL15221624 0.80 HPGD (0.46) HPGDEPHX1HSD17B10NPC1PREP
SCHEMBL31197652 0.80 HPGD (0.46) HPGDEPHX1HSD17B10NPC1PREP

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-101168514-B Practical synthesis method for alpha-aminosuberate and alpha-amino suberic acid monoester with optical activity SHANGHAI YAOMING KANGDE NEW MEDICINE DEVELOPMENT CO., LTD. (CN) 2011-12-07 CN claimed
CN-101168514-A Practical synthesis method for alpha-aminosuberate and alpha-amino suberic acid monoester with optical activity SHANGHAI PHARMATECH CO LTD (CN) 2008-04-30 CN claimed
CN-101168514-B Practical synthesis method for alpha-aminosuberate and alpha-amino suberic acid monoester with optical activity SHANGHAI YAOMING KANGDE NEW MEDICINE DEVELOPMENT CO., LTD. (CN) 2011-12-07 CN disclosed
CN-101168514-A Practical synthesis method for alpha-aminosuberate and alpha-amino suberic acid monoester with optical activity SHANGHAI PHARMATECH CO LTD (CN) 2008-04-30 CN disclosed