SCHEMBL2932038

SCHEMBL2932038

CO[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.48
SLC1A2 P43004 1/20 0.48
SLC1A1 P43005 1/20 0.48
PDE4A P27815 1/20 0.43
TSHR P16473 2/20 0.41
CYP2C9 P11712 2/20 0.38
TP53 P04637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PGD P52209 1/20 0.32
CYP1A2 P05177 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL11503365 1.00 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1PDE4ATSHR
SCHEMBL20828994 0.88 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1PDE4ATSHR
SCHEMBL722389 0.82 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1PDE4ATSHR
SCHEMBL7290471 0.82 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1PDE4ATSHR
SCHEMBL7291825 0.82 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1PDE4ATSHR
SCHEMBL20986908 0.82 SLC1A3 (0.45) SLC1A3SLC1A2SLC1A1PDE4ATSHR
SCHEMBL12610770 0.82 SLC1A3 (0.45) SLC1A3SLC1A2SLC1A1PDE4ATSHR
SCHEMBL12698338 0.81 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1TP53
SCHEMBL14892561 0.78 PDE4A (0.44) SLC1A3SLC1A2SLC1A1PDE4ATSHR
SCHEMBL12776176 0.78 PDE4A (0.44) SLC1A3SLC1A2SLC1A1PDE4ATSHR

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-2230312-A1 Probe compound for detecting and isolating enzymes and means and methods using the same Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2010-09-22 EP disclosed