SCHEMBL6823967

SCHEMBL6823967

CC(NC(=O)C(O)C(C)C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 6/20 0.47
ACE P12821 2/20 0.47
CPA1 P15085 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
TP53 P04637 1/20 0.39
LTA4H P09960 3/20 0.39
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FAAH O00519 1/20 0.36
ANPEP P15144 1/20 0.36
ECE1 P42892 1/20 0.36
SDCBP O00560 1/20 0.36
SDC2 P34741 1/20 0.36

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
SCHEMBL26654282 1.00 MME (0.47) MMEACECPA1ACE2TP53
SCHEMBL14115514 0.81 PSEN1 (0.34) MMEACECPA1ACE2
SCHEMBL4572623 0.80 MME (0.50) MMEACECPA1ACE2TP53
SCHEMBL6374397 0.80 MME (0.50) MMEACECPA1ACE2TP53
SCHEMBL15697685 0.78 MME (0.48) MMEACECPA1ACE2LTA4H
SCHEMBL30628694 0.78 MME (0.53) MMEACECPA1ACE2LTA4H
SCHEMBL19088373 0.77 HIF1A (0.48)
SCHEMBL12545610 0.77 CA12 (0.39) TP53LMNAFAAH
SCHEMBL19000044 0.77 CA12 (0.39) TP53LMNAFAAH
SCHEMBL19000042 0.77 CA12 (0.39) TP53LMNAFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1496400-A Process and microorganism for the preparation of 3- (2-hydroxy-3-methyl-butyrylamino) -propionic acid (HMBPA) 巴斯福股份公司 2004-05-12 CN claimed
WO-2023223057-A1 MACROCYCLIC COMPOUNDS AND USES THEREOF CYPRALIS LIMITED (GB) 2023-11-23 WO disclosed
CN-102690231-B Method for synthesizing potential drug of Semagacestat for treating Alzheimer disease NANJING YOUJIE MEDICAL TECHNOLOGY CO LTD 2014-07-09 CN disclosed
CN-102690231-A Method for synthesizing potential drug of Semagacestat for treating Alzheimer disease NANJING YOUJIE MEDICAL TECHNOLOGY CO LTD 2012-09-26 CN disclosed
EP-1377662-A2 METHODS AND MICROORGANISMS FOR THE PRODUCTION OF 3-(2-HYDROXY-3-METHYL-BUTYRYLAMINO)-PROPIONIC ACID (HMBPA) BASF AKTIENGESELLSCHAFT (DE) 2004-01-07 EP disclosed
WO-2002057476-A9 METHODS AND MICROORGANISMS FOR THE PRODUCTION OF 3-(2-HYDROXY-3-METHYL-BUTYRYLAMINO)-PROPIONIC ACID (HMBPA) OMNIGENE BIOPRODUCTS INC (US) 2003-04-10 WO disclosed
WO-2002057476-A2 METHODS AND MICROORGANISMS FOR THE PRODUCTION OF 3-(2-HYDROXY-3-METHYL-BUTYRYLAMINO)-PROPIONIC ACID (HMBPA) BASF AKTIENGESELLSCHAFT (DE) 2002-07-25 WO disclosed