SCHEMBL7435339

SCHEMBL7435339

COC(=O)CNC1(C(=O)OC)CCCC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
TSHR P16473 4/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP3A4 P08684 3/20 0.35
TET2 Q6N021 1/20 0.35
EPHX2 P34913 1/20 0.35
RECQL P46063 1/20 0.34
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NLRP3 Q96P20 1/20 0.30

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
SCHEMBL7445187 0.86 GAA (0.41) MAPTNPSR1ALDH1A1L3MBTL1CYP4F2
SCHEMBL7437999 0.84 MAPT (0.38) MAPTNPSR1ALDH1A1L3MBTL1CYP4F2
SCHEMBL7434611 0.84 MAPT (0.41) MAPTNPSR1ALDH1A1L3MBTL1CYP4F2
SCHEMBL3525418 0.83 CA12 (0.42) MAPTNPSR1ALDH1A1L3MBTL1CYP4F2
SCHEMBL7431988 0.83 MAPT (0.40) MAPTNPSR1ALDH1A1L3MBTL1CYP4F2
SCHEMBL4159695 0.83 CYP3A4 (0.40) MAPTNPSR1ALDH1A1L3MBTL1CYP4F2
SCHEMBL29186867 0.79 TSHR (0.45) MAPTNPSR1ALDH1A1L3MBTL1CYP4F2
SCHEMBL5524661 0.78 MAPT (0.47) MAPTNPSR1ALDH1A1L3MBTL1CYP4F2
SCHEMBL13612612 0.77 MAPT (0.42) MAPTNPSR1ALDH1A1L3MBTL1CYP4F2
Hydrochloric Acid SCHEMBL5524658 0.77 MAPT (0.46) MAPTNPSR1ALDH1A1L3MBTL1CYP4F2

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