D-Alanine

D-Alanine

SCHEMBL6862079

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

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 1/20 0.40
PTGS2 P35354 1/20 0.40
THPO P40225 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
SLC7A5 Q01650 2/20 0.39
MME P08473 2/20 0.38
RAB9A P51151 1/20 0.38
ACE P12821 1/20 0.38
CPA1 P15085 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
CA2 P00918 2/20 0.37
CA1 P00915 1/20 0.37
LTA4H P09960 2/20 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
Alanine SCHEMBL20898432 1.00 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2KDM4EMAPTTHRB
Alanine SCHEMBL7699776 1.00 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2KDM4EMAPTTHRB
D-Alanine SCHEMBL6865373 1.00 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL330009 0.90
SCHEMBL330011 0.90
SCHEMBL330308 0.90
SCHEMBL29078950 0.87 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL29078952 0.87 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL11433892 0.87 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4EMAPTTHRB
Hydrochloric Acid SCHEMBL28235390 0.87 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4EMAPTTHRB

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
US-6800608-B2 PREPARATION OF STABILIZED GLYCOPEPTIDE ANTIBIOTIC CONJUGATE; FORM GLYCOPEPTIDE ANTIBIOTIC, MIX WITH STABILIZING AGENT THAT PREVENTS DIMERIZATION, HEAT, STORE IN DILUENT BUFFER BECKMAN COULTER, INC. 2004-10-05 US claimed
US-20030077670-A1 Homogeneous assay of vancomycin using a stable particle-vancomycin conjugate, a novel rate enhancer, and a novel dose response modulator BECKMAN COULTER, INC. 2003-04-24 US claimed
US-6800608-B2 PREPARATION OF STABILIZED GLYCOPEPTIDE ANTIBIOTIC CONJUGATE; FORM GLYCOPEPTIDE ANTIBIOTIC, MIX WITH STABILIZING AGENT THAT PREVENTS DIMERIZATION, HEAT, STORE IN DILUENT BUFFER BECKMAN COULTER, INC. 2004-10-05 US disclosed
US-20030077670-A1 Homogeneous assay of vancomycin using a stable particle-vancomycin conjugate, a novel rate enhancer, and a novel dose response modulator BECKMAN COULTER, INC. 2003-04-24 US disclosed