Alanine

Alanine

SCHEMBL5970554

C[C@H](N)C(=O)O.N[C@@H](COC(=O)[C@@H]1CCCN1)C(=O)O

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 2/20 0.36
NOS2 P35228 3/20 0.33
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
PRCP P42785 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
SLC7A5 Q01650 1/20 0.32
ELANE P08246 1/20 0.32
DPP4 P27487 1/20 0.31
SLC1A5 Q15758 1/20 0.31

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
SCHEMBL2043828 0.94 NOS2 (0.37) TLR2NOS2NOS3NOS1PRCP
Proline SCHEMBL140698 0.90 TLR2 (0.34) TLR2NOS2NOS3NOS1PRCP
Proline SCHEMBL3519298 0.85 TLR2 (0.32) TLR2NOS2NOS3NOS1ELANE
SCHEMBL527857 0.83 TLR2 (0.35) TLR2PRCPMEN1KMT2ACYP1A2
Lysine SCHEMBL6151465 0.83 GSR (0.49) TLR2DPP7DPP4
Phenylalanine SCHEMBL5672080 0.81 SLC7A5 (0.51) DPP7SLC7A5ELANEDPP4SLC1A5
SCHEMBL3100834 0.81 TLR2 (0.30) TLR2
SCHEMBL10363588 0.81 RAB9A (0.39) TLR2NOS2NOS3NOS1PRCP
SCHEMBL3714016 0.81 RAB9A (0.39) TLR2NOS2NOS3NOS1PRCP
SCHEMBL23407548 0.80 NOS2 (0.35) TLR2NOS2NOS3NOS1PRCP

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
EP-1151102-B1 GLYCOSYLATED LEPTIN COMPOSITIONS AND RELATED METHODS AMGEN INC (US) 2006-04-19 EP disclosed