SCHEMBL5569976

SCHEMBL5569976

C[C@@H](OCc1ccccc1)[C@@H](O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.51
SLC1A2 P43004 2/20 0.51
SLC1A1 P43005 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP1A2 P05177 2/20 0.51
MEN1 O00255 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
RCE1 Q9Y256 1/20 0.49
MMP9 P14780 2/20 0.48
MMP8 P22894 2/20 0.48
ALDH1A1 P00352 4/20 0.47
HTT P42858 3/20 0.46
PSMB5 P28074 1/20 0.44
TSHR P16473 2/20 0.43
GLRA1 P23415 1/20 0.43
MAPK1 P28482 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CTSL P07711 1/20 0.42

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
SCHEMBL1487164 1.00 SLC1A3 (0.51) SLC1A3SLC1A2SLC1A1KMT2ACYP1A2
SCHEMBL1362199 1.00 SLC1A3 (0.51) SLC1A3SLC1A2SLC1A1KMT2ACYP1A2
SCHEMBL1362196 1.00 SLC1A3 (0.51) SLC1A3SLC1A2SLC1A1KMT2ACYP1A2
SCHEMBL1362201 1.00 SLC1A3 (0.51) SLC1A3SLC1A2SLC1A1KMT2ACYP1A2
SCHEMBL21843005 0.86 ALDH1A1 (0.53) SLC1A3SLC1A2SLC1A1KMT2ACYP1A2
SCHEMBL21843008 0.86 ALDH1A1 (0.53) SLC1A3SLC1A2SLC1A1KMT2ACYP1A2
SCHEMBL1195694 0.84 SLC1A3 (0.53) SLC1A3SLC1A2SLC1A1KMT2ACYP1A2
SCHEMBL4853198 0.84 SLC1A3 (0.53) SLC1A3SLC1A2SLC1A1KMT2ACYP1A2
SCHEMBL4908888 0.84 SLC1A3 (0.53) SLC1A3SLC1A2SLC1A1KMT2ACYP1A2
SCHEMBL25552099 0.84 SLC1A3 (0.53) SLC1A3SLC1A2SLC1A1KMT2ACYP1A2

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-2006024823-A9 PYRIMIDINE SULPHONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2007-03-15 WO disclosed