SCHEMBL5167199

SCHEMBL5167199

CCC(N)C(O)(O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.37
SLC1A2 P43004 2/20 0.37
SLC1A1 P43005 2/20 0.37
ALDH1A1 P00352 3/20 0.35
TSHR P16473 1/20 0.35
LAP3 P28838 1/20 0.32
KIF11 P52732 2/20 0.32
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.31
GABRP O00591 2/20 0.31
GABRD O14764 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRB1 P18505 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRA3 P34903 2/20 0.31
GABRA2 P47869 2/20 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
SCHEMBL8584362 0.80 SLC1A3 (0.37) SLC1A3SLC1A2SLC1A1ALDH1A1TSHR
SCHEMBL3391927 0.77 SLC1A2 (0.38) SLC1A3SLC1A2SLC1A1ALDH1A1TSHR
Hydrochloric Acid SCHEMBL7363121 0.75 SLC1A2 (0.37) SLC1A3SLC1A2SLC1A1ALDH1A1TSHR
SCHEMBL27585631 0.75 SLC1A2 (0.37) SLC1A3SLC1A2SLC1A1ALDH1A1TSHR
Acetic Acid SCHEMBL5205539 0.73 SLC1A3 (0.35) SLC1A3SLC1A2SLC1A1ALDH1A1LAP3
SCHEMBL10567437 0.73 SLC1A3 (0.35) SLC1A3SLC1A2SLC1A1ALDH1A1LAP3
Propionic Acid SCHEMBL9065011 0.73 FFAR3 (0.48) SLC1A3SLC1A2SLC1A1ALDH1A1TSHR
SCHEMBL761737 0.73 SLC1A3 (0.35) SLC1A3SLC1A2SLC1A1ALDH1A1LAP3
SCHEMBL28225224 0.73 SLC1A3 (0.35) SLC1A3SLC1A2SLC1A1ALDH1A1TSHR
SCHEMBL2784984 0.72 TSHR (0.43) ALDH1A1TSHRFFAR3

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
EP-1768994-A2 CYCLIC PEPTIDE ANTIBIOTICS Hagelin, Gunnar (NO) 2007-04-04 EP claimed
WO-2005115097-A2 CYCLIC PEPTIDE ANTIBIOTICS HAGELIN GUNNAR (NO) 2005-12-08 WO claimed
EP-1768994-A2 CYCLIC PEPTIDE ANTIBIOTICS Hagelin, Gunnar (NO) 2007-04-04 EP disclosed
WO-2005115097-A2 CYCLIC PEPTIDE ANTIBIOTICS HAGELIN GUNNAR (NO) 2005-12-08 WO disclosed