Alanine

Alanine

SCHEMBL7646190

CC(N)C(=O)O.CCC(NP(=O)(O)Cc1ccccc1)C(=O)O.CCCC(NP(=O)(O)Cc1ccccc1)C(=O)O.CCCCC(NP(=O)(O)Cc1ccccc1)C(=O)O.O=C(O)C(NP(=O)(O)Cc1ccccc1)C1CCCCC1

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.37
REN P00797 2/20 0.35
ANPEP P15144 2/20 0.35
ERAP2 Q6P179 2/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
C3AR1 Q16581 1/20 0.34
EPHX2 P34913 2/20 0.34
BCHE P06276 1/20 0.33
ACE P12821 1/20 0.33
ENPP2 Q13822 3/20 0.33
MME P08473 1/20 0.33
ECE1 P42892 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
SCHEMBL8060930 0.93 REN (0.37) CTSKRENEPHX2BCHEACE
SCHEMBL5058010 0.79 EPHX2 (0.44) ANPEPERAP2SMN1; SMN2EPHX2ACE
SCHEMBL5051299 0.78 CNR2 (0.46) CTSKACEMMEECE1
SCHEMBL5053032 0.76 GGH (0.47) MME
SCHEMBL5054738 0.74 POLB (0.48) ACEMME
SCHEMBL5051224 0.69 LTA4H (0.50) CTSKEPHX2ACEMME
SCHEMBL5053356 0.68 GGT1 (0.46) ANPEPERAP2LMNAMME
SCHEMBL5059968 0.67 S1PR2 (0.47) ANPEPERAP2LMNAMME
SCHEMBL5060126 0.67 GGH (0.55) MAPTSMN1; SMN2
SCHEMBL5053091 0.67 HPGD (0.43) ALDH1A1LMNAHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002514184-A 2002-05-14 JP claimed
EP-1005348-A1 NAALADASE COMPOSITIONS AND METHODS FOR TREATING GLUTAMATE ABNORMALITY AND EFFECTING NEURONAL ACTIVITY IN ANIMALS GUILFORD PHARMACEUTICALS INC. (US) 2000-06-07 EP claimed
WO-1998013046-A1 NAALADASE COMPOSITIONS AND METHODS FOR TREATING GLUTAMATE ABNORMALITY AND EFFECTING NEURONAL ACTIVITY IN ANIMALS GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 WO claimed