SCHEMBL9753199

SCHEMBL9753199

CCOCCCC(=O)CC(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
MGAM O43451 1/20 0.52
SI P14410 1/20 0.52
MGAM2 Q2M2H8 1/20 0.52
CYP1A2 P05177 1/20 0.42
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.41
FAAH O00519 1/20 0.40
TRPA1 O75762 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
EPHX2 P34913 1/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
SMYD3 Q9H7B4 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL13709403 0.89 GAA (0.48) GAAMGAMSIMGAM2CYP1A2
SCHEMBL563195 0.88 GAA (0.56) GAAMGAMSIMGAM2CYP1A2
SCHEMBL13726604 0.86 GAA (0.45) GAAMGAMSIMGAM2CYP1A2
SCHEMBL13335576 0.85 GAA (0.52) GAAMGAMSIMGAM2CYP1A2
SCHEMBL2943131 0.84 CYP1A2 (0.59) GAAMGAMSIMGAM2CYP1A2
SCHEMBL4476235 0.84 GAA (0.61) GAAMGAMSIMGAM2CYP1A2
SCHEMBL6303688 0.84 GAA (0.61) GAAMGAMSIMGAM2CYP1A2
SCHEMBL7892333 0.83 GAA (0.50) GAAMGAMSIMGAM2CYP1A2
SCHEMBL1223746 0.82 GAA (0.58) GAAMGAMSIMGAM2CYP1A2
SCHEMBL1549737 0.82 GAA (0.58) GAAMGAMSIMGAM2CYP1A2

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-1991007378-A1 CYCLOALKYL-SUBSTITUTED GLUTARAMIDE DIURETIC AGENTS PFIZER LIMITED (GB) 1991-05-30 WO disclosed