D-Alanine

D-Alanine

SCHEMBL11205686

C[C@@H](N)C(=O)O.O=C(O)C(O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 4/20 0.53
GRM4 Q14833 4/20 0.53
GRM6 O15303 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
MEN1 O00255 1/20 0.51
HPGD P15428 1/20 0.51
KMT2A Q03164 1/20 0.51
KMO O15229 1/20 0.49
ACP3 P15309 1/20 0.49
AKR1C3 P42330 2/20 0.47
AKR1C2 P52895 2/20 0.47
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 2/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45

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 SCHEMBL11207143 1.00 GRM8 (0.53) GRM8GRM4GRM6L3MBTL1MEN1
SCHEMBL742437 0.91 ACP3 (0.56) GRM8GRM4GRM6L3MBTL1MEN1
SCHEMBL11057509 0.91 ACP3 (0.56) GRM8GRM4GRM6L3MBTL1MEN1
SCHEMBL5157317 0.91 ACP3 (0.56) GRM8GRM4GRM6L3MBTL1MEN1
SCHEMBL11207149 0.82 MEN1 (0.48) GRM8GRM4GRM6L3MBTL1MEN1
SCHEMBL11205688 0.82 MEN1 (0.48) GRM8GRM4GRM6L3MBTL1MEN1
SCHEMBL4430624 0.80 GRM8 (0.56) GRM8GRM4GRM6L3MBTL1KMO
SCHEMBL8582041 0.80 AKR1C3 (0.67) GRM8GRM4L3MBTL1MEN1HPGD
SCHEMBL3992888 0.80 AKR1C3 (0.67) GRM8GRM4L3MBTL1MEN1HPGD
SCHEMBL307016 0.80 AKR1C3 (0.67) GRM8GRM4L3MBTL1MEN1HPGD

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-0009722-B1 OPTICALLY ACTIVE COMPLEX, ALANINE.RING-SUBSTITUTED MANDELIC ACID, AND THE METHOD FOR PRODUCING THE SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1983-03-02 EP claimed
EP-0009722-A1 Optically active complex, alanine.Ring-substituted mandelic acid, and the method for producing the same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1980-04-16 EP claimed