SCHEMBL7430758

SCHEMBL7430758

CCOC(=O)CNC(C(=O)OC)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
MGAM O43451 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
CA12 O43570 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TRPA1 O75762 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
BIRC2 Q13490 1/20 0.35

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
SCHEMBL7430764 1.00 GAA (0.45) GAAMGAMSIMGAM2CA12
SCHEMBL7433995 1.00 GAA (0.45) GAAMGAMSIMGAM2CA12
SCHEMBL24072920 0.87 GAA (0.43) GAAMGAMSIMGAM2CA12
SCHEMBL2903501 0.85 GAA (0.45) GAAMGAMSIMGAM2TRPA1
Hydrochloric Acid SCHEMBL28584781 0.84 GAA (0.43) GAAMGAMSIMGAM2TRPA1
Hydrochloric Acid SCHEMBL29798612 0.84 GAA (0.43) GAAMGAMSIMGAM2TRPA1
SCHEMBL1058824 0.83 GAA (0.40) GAAMGAMSIMGAM2CA7
SCHEMBL7431249 0.83 GAA (0.40) GAAMGAMSIMGAM2CA7
SCHEMBL7437694 0.79 CA12 (0.42) CA12CA14CA7CA9SMN1; SMN2
SCHEMBL7437701 0.79 CA12 (0.42) CA12CA14CA7CA9SMN1; SMN2

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-0640594-A1 Hydantoin derivative as metalloprotease inhibitor FUJIREBIO INC. (JP) 1995-03-01 EP disclosed