SCHEMBL7440971

SCHEMBL7440971

CCOC(=O)C(C)(C)CNCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
MMP8 P22894 1/20 0.54
PPID Q08752 1/20 0.51
ALDH1A1 P00352 2/20 0.50
RECQL P46063 2/20 0.50
RIPK1 Q13546 1/20 0.49
LMNA P02545 2/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
PIN1 Q13526 1/20 0.45
GAA P10253 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
APEX1 P27695 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL16839697 0.92 SMN1; SMN2 (0.51) SMN1; SMN2MMP8PPIDALDH1A1RECQL
SCHEMBL2171018 0.84 PPID (0.66) SMN1; SMN2MMP8PPIDALDH1A1RECQL
SCHEMBL24241874 0.84 SMN1; SMN2 (0.55) SMN1; SMN2MMP8PPIDALDH1A1RECQL
SCHEMBL16839699 0.83 KCNQ2 (0.49) SMN1; SMN2KMT2AGAATHRB
SCHEMBL16839015 0.81 MEN1 (0.42) SMN1; SMN2MMP8PPIDALDH1A1LMNA
SCHEMBL13731240 0.80 RIPK1 (0.53) SMN1; SMN2MMP8RIPK1LMNAMEN1
SCHEMBL16838997 0.80 ALDH1A1 (0.47) SMN1; SMN2MMP8ALDH1A1MEN1KMT2A
SCHEMBL2226 0.80 MYC (0.46) SMN1; SMN2MMP8ALDH1A1GAAKDM4E
SCHEMBL1492859 0.79 MMP8 (0.65) SMN1; SMN2MMP8PPIDALDH1A1RECQL
SCHEMBL6044415 0.78 SMN1; SMN2 (0.51) SMN1; SMN2MMP8ALDH1A1RECQLLMNA

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