SCHEMBL7097599

SCHEMBL7097599

CC(C)(C)OC(=O)N[C@H]1CCCNC(=O)C1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.51
GAA P10253 2/20 0.47
EPHX2 P34913 1/20 0.45
CTSK P43235 2/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
EPHX1 P07099 1/20 0.43
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
CCR2 P41597 1/20 0.38
JAK3 P52333 1/20 0.38
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38

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
SCHEMBL8325782 1.00 BTK (0.51) BTKGAAEPHX2CTSKCA1
SCHEMBL19968080 0.91 GAA (0.49) BTKGAAEPHX2CTSKCA1
SCHEMBL4988935 0.91 GAA (0.49) BTKGAAEPHX2CTSKCA1
SCHEMBL16899791 0.86 GAA (0.45) BTKGAAEPHX2CA1CA2
SCHEMBL8315332 0.84 EPHX1 (0.52) BTKGAAEPHX2EPHX1KMT2A
SCHEMBL1114461 0.82 CCR2 (0.54) CA1CA2KMT2ACCR2
SCHEMBL6815007 0.81 EPHX2 (0.59) BTKGAAEPHX2CTSKCA1
SCHEMBL3735359 0.81 EPHX2 (0.59) BTKGAAEPHX2CTSKCA1
SCHEMBL15595143 0.81 EPHX2 (0.59) BTKGAAEPHX2CTSKCA1
SCHEMBL8312942 0.80 ALDH1A1 (0.42) CA1CA2EPHX1L3MBTL1KDM1A

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
EP-0815084-B1 LACTAM-CONTAINING HYDROXAMIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEASE PROCTER & GAMBLE (US) 2003-08-27 EP disclosed
US-5672598-A MATRIX METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 1997-09-30 US disclosed