SCHEMBL8526546

SCHEMBL8526546

CCC(C)C(N)C(=O)NC(C(=O)O)C(C)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
ENPEP Q07075 7/20 0.45
MME P08473 3/20 0.41
ACE P12821 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
PDCD1LG2 Q9BQ51 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA2 P00918 4/20 0.38
CA1 P00915 2/20 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
SCHEMBL8526548 1.00 ALDH1A1 (0.46) ALDH1A1ENPEPMMEACECPA1
SCHEMBL31174309 1.00 ALDH1A1 (0.46) ALDH1A1ENPEPMMEACECPA1
SCHEMBL29352016 0.95 ALDH1A1 (0.46) ALDH1A1ENPEP
SCHEMBL30272494 0.92 ALDH1A1 (0.50) ALDH1A1ENPEPL3MBTL1CA2CA1
SCHEMBL2933768 0.89 ALDH1A1 (0.58) ALDH1A1ENPEPMMEACECPA1
SCHEMBL2933766 0.89 ALDH1A1 (0.58) ALDH1A1ENPEPMMEACECPA1
SCHEMBL31025662 0.89 ALDH1A1 (0.58) ALDH1A1ENPEPMMEACECPA1
SCHEMBL7441174 0.89 ALDH1A1 (0.58) ALDH1A1ENPEPMMEACECPA1
SCHEMBL30818044 0.89 ALDH1A1 (0.46) ALDH1A1ENPEP
SCHEMBL29641579 0.88 ALDH1A1 (0.47) ALDH1A1ENPEPMMEACECPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106456633-A Sugar metabolism improving agent 三得利控股株式会社 2017-02-22 CN claimed
WO-2020027689-A1 NOVEL USES OF A COMBINATION OF JUNIPER BERRY EXTRACT AND CHARCOAL ОБЩЕСТВО С ОГРАНИЧЕННОЙ ОТВЕТСТВЕННОСТЬЮ "СПЛАТ ГЛОБАЛ" 2020-02-06 WO disclosed
US-20180314790-A1 System, Method and Apparatus for Determining the Effect of Genetic Variants METABOLON, INC. 2018-11-01 US disclosed
US-20170276669-A1 PRECISE ESTIMATION OF GLOMERULAR FILTRATION RATE FROM MULTIPLE BIOMARKERS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2017-09-28 US disclosed
CN-106456633-A Sugar metabolism improving agent 三得利控股株式会社 2017-02-22 CN disclosed
EP-0885899-A1 Method for obtaining peptide fragments by use of fluorinated organic acids SEIKO INSTRUMENTS INC. (JP) 1998-12-23 EP disclosed