SCHEMBL7646266

SCHEMBL7646266

CP(=O)(O)CCCNc1cc(Cl)c(Cl)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.37
S1PR3 Q99500 4/20 0.37
S1PR2 O95136 3/20 0.37
S1PR4 O95977 1/20 0.37
GABBR2 O75899 1/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
THPO P40225 1/20 0.36
GABBR1 Q9UBS5 1/20 0.36
LMNA P02545 1/20 0.35
BLM P54132 1/20 0.35
ALOX15 P16050 2/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LPAR2 Q9HBW0 2/20 0.33
GRIN1 Q05586 3/20 0.32
GRIN2B Q13224 3/20 0.32
ABL1 P00519 1/20 0.32
MMP8 P22894 1/20 0.32
MMP14 P50281 1/20 0.32

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
SCHEMBL7649201 0.92 GRIN1 (0.42) ALOX15L3MBTL1GRIN1GRIN2BABL1
SCHEMBL7646145 0.84 MMP8 (0.46) ALOX15L3MBTL1GRIN1GRIN2BABL1
SCHEMBL7650967 0.80 THRB (0.43) S1PR1S1PR3S1PR2S1PR4GABBR2
SCHEMBL7645204 0.79 RHOC (0.45) S1PR1S1PR3S1PR2S1PR4GABBR2
SCHEMBL7648081 0.77 EPHX1 (0.44) LMNAALOX15GAAL3MBTL1ALDH1A1
SCHEMBL7646886 0.75 ALDH1A1 (0.55) S1PR1S1PR3S1PR2S1PR4GABBR2
SCHEMBL7648476 0.73 MAPT (0.53) S1PR1S1PR3S1PR2S1PR4GABBR2
SCHEMBL7650077 0.73 ALDH1A1 (0.59) S1PR1S1PR3S1PR2S1PR4CYP1A2
SCHEMBL7646938 0.73 RHOC (0.41) CYP1A2LMNAALOX15GAAL3MBTL1
SCHEMBL7649208 0.72 MMP2 (0.42) S1PR1S1PR3S1PR2S1PR4GABBR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002100871-A1 NEW COMPOUNDS USEFUL IN REFLUX DISEASE ASTRAZENECA AB (SE) 2002-12-19 WO claimed
WO-2002100871-A1 NEW COMPOUNDS USEFUL IN REFLUX DISEASE ASTRAZENECA AB (SE) 2002-12-19 WO disclosed