Alanine

Alanine

SCHEMBL4454120

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

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 1/20 0.50
SLC6A5 Q9Y345 1/20 0.50
CTSD P07339 1/20 0.43
MME P08473 1/20 0.41
ACE P12821 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
KDM4E B2RXH2 3/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL2269347 0.92 FAAH (0.59) FAAHSMN1; SMN2ALDH1A1MAPTSLC6A5
SCHEMBL9651263 0.92 FAAH (0.59) FAAHSMN1; SMN2ALDH1A1MAPTSLC6A5
SCHEMBL5401 0.92 FAAH (0.59) FAAHSMN1; SMN2ALDH1A1MAPTSLC6A5
SCHEMBL9864028 0.85 FAAH (0.53) FAAHSMN1; SMN2ALDH1A1MAPTSLC6A5
SCHEMBL5966860 0.80 FAAH (0.70) FAAHSMN1; SMN2ALDH1A1MAPTSLC6A5
SCHEMBL5296255 0.80 FAAH (0.70) FAAHSMN1; SMN2ALDH1A1MAPTSLC6A5
SCHEMBL5966857 0.80 FAAH (0.70) FAAHSMN1; SMN2ALDH1A1MAPTSLC6A5
SCHEMBL23376623 0.79 ALDH1A1 (0.51) FAAHSMN1; SMN2ALDH1A1MAPTSLC6A5
SCHEMBL15435835 0.79 ALDH1A1 (0.51) FAAHSMN1; SMN2ALDH1A1MAPTSLC6A5
SCHEMBL18674704 0.79 ALDH1A1 (0.51) FAAHSMN1; SMN2ALDH1A1MAPTSLC6A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009037556-A1 NEW AGENTS FOR THE TREATMENT OF THE LOW URINARY TRACT DYSFUNCTIONS CTG PHARMA S.R.L. (IT) 2009-03-26 WO disclosed