Alanine

Alanine

SCHEMBL7753217

CC(N)C(=O)O.CC(NC(C)C(=O)O)C(=O)O

nearest known ligand 0.43

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.43
TP53 P04637 1/20 0.38
SLC1A3 P43003 2/20 0.34
SLC1A2 P43004 2/20 0.34
SLC1A1 P43005 1/20 0.34
DPP4 P27487 1/20 0.34
LTA4H P09960 1/20 0.34
GABRP O00591 4/20 0.33
GABRD O14764 4/20 0.33
GABRA1 P14867 4/20 0.33
GABRB1 P18505 4/20 0.33
GABRG2 P18507 4/20 0.33
GABRB3 P28472 4/20 0.33
GABRA5 P31644 4/20 0.33
GABRA3 P34903 4/20 0.33
GABRA2 P47869 4/20 0.33
GABRB2 P47870 4/20 0.33
GABRA4 P48169 4/20 0.33
GABRE P78334 4/20 0.33
GABRA6 Q16445 4/20 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
SCHEMBL88208 0.88 TP53 (0.47) SLC7A5TP53RAB9AMMEACE
SCHEMBL3808901 0.88 TP53 (0.47) SLC7A5TP53RAB9AMMEACE
SCHEMBL109878 0.88 TP53 (0.47) SLC7A5TP53RAB9AMMEACE
SCHEMBL4572684 0.88 TP53 (0.47) SLC7A5TP53RAB9AMMEACE
SCHEMBL2807366 0.88 TP53 (0.47) SLC7A5TP53RAB9AMMEACE
SCHEMBL4572680 0.88 TP53 (0.47) SLC7A5TP53RAB9AMMEACE
SCHEMBL525677 0.83
Ethylene Glycol SCHEMBL14742452 0.83 TP53 (0.38) SLC7A5TP53GABRR1ALDH1A1MME
Alanine SCHEMBL31 0.82
Alanine SCHEMBL452350 0.82 SLC7A5 (0.59) SLC7A5TP53SLC1A3SLC1A2SLC1A1

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-1068175-A1 PROCESS FOR THE SELECTIVE CONTROL OF ZWITTERIONIC AMPHOTERIC SURFACTANT COMPOSITIONS Akzo Nobel N.V. (NL) 2001-01-17 EP disclosed
WO-1999050227-A1 PROCESS FOR THE SELECTIVE CONTROL OF ZWITTERIONIC AMPHOTERIC SURFACTANT COMPOSITIONS AKZO NOBEL N.V. (NL) 1999-10-07 WO disclosed