Alanine

Alanine

SCHEMBL2176579

COC(=O)N[C@@H](C)C(=O)O.C[C@H](N)C(=O)O

nearest known ligand 0.36

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Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.36
RAB9A P51151 1/20 0.36
ACE P12821 1/20 0.36
CPA1 P15085 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
SLC7A5 Q01650 1/20 0.36
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
CA2 P00918 2/20 0.35
CA1 P00915 1/20 0.35
TYR P14679 1/20 0.35
TGFBR1 P36897 1/20 0.34
LTA4H P09960 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
DPP4 P27487 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL444915 0.91 MME (0.41) MMERAB9AACECPA1ACE2
SCHEMBL194101 0.91 MME (0.41) MMERAB9AACECPA1ACE2
SCHEMBL194100 0.91 MME (0.41) MMERAB9AACECPA1ACE2
SCHEMBL7324302 0.83 MME (0.44) MMERAB9AACECPA1ACE2
SCHEMBL7324309 0.83 MME (0.44) MMERAB9AACECPA1ACE2
Aspartic Acid SCHEMBL7173783 0.81 SLC7A5 (0.42) SLC7A5SLC1A3SLC1A2SLC1A1LTA4H
Alanine SCHEMBL9180204 0.80 CA1 (0.46) CA2CA1KDM4E
SCHEMBL204822 0.79 SMN1; SMN2 (0.40) SMN1; SMN2CA2CA1TYRALDH1A1
D-Alanine SCHEMBL6865373 0.77 ALDH1A1 (0.43) MMERAB9AACECPA1ACE2
Alanine SCHEMBL20898432 0.77 ALDH1A1 (0.43) MMERAB9AACECPA1ACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2519506-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2012-11-07 EP disclosed
WO-2011082077-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-07 WO disclosed