SCHEMBL7203003

SCHEMBL7203003

CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1O[C@@H]1C(=O)NCCc1csc(NC(=O)OC(C)(C)C)n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.42
PYGL P06737 2/20 0.38
MMP3 P08254 1/20 0.38
CTSS P25774 2/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 1/20 0.38
PTPRB P23467 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP14 P50281 1/20 0.38
ATM Q13315 2/20 0.37
KMT2A Q03164 2/20 0.37
AKT1 P31749 1/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL7202999 1.00 SIRT1 (0.42) SIRT1PYGLMMP3CTSSCTSL
SCHEMBL7205858 0.83 CTSS (0.47) CTSSCTSLCTSBCTSKMMP9
SCHEMBL7205866 0.83 CTSS (0.47) CTSSCTSLCTSBCTSKMMP9
Hydrochloric Acid SCHEMBL7203602 0.83 PYGL (0.42) PYGLMMP3MMP9MMP8MMP14
Hydrochloric Acid SCHEMBL7203605 0.83 PYGL (0.42) PYGLMMP3MMP9MMP8MMP14
SCHEMBL7203966 0.79 MMP9 (0.53) PYGLMMP3MMP9MMP8MMP14
SCHEMBL7203960 0.79 MMP9 (0.53) PYGLMMP3MMP9MMP8MMP14
SCHEMBL7204605 0.78 MMP9 (0.44) PYGLMMP3MMP9MMP8MMP14
SCHEMBL7204595 0.78 MMP9 (0.44) PYGLMMP3MMP9MMP8MMP14
SCHEMBL7207304 0.77 KMT2A (0.53) PYGLMMP3MMP9MMP8MMP14

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-0921122-B1 EPOXYSUCCINAMIDE DERIVATIVES OR SALTS THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2003-05-21 EP disclosed
US-6110967-A USEFUL AS AGENTS FOR PREVENTING AND TREATING METABOLIC OSTEOPATHY SUCH AS OSTEOPOROSIS, HYPERCALCEMIA AND BONE METASTASIS OF CANCER BECAUSE THEY SPECIFICALLY INHIBITS CATHEPSIN L AND ITS FAMILY ENZYMES TO INHIBIT BONE RESORPTION TAIHO PHARMACEUTICALS CO., LTD. (JP) 2000-08-29 US disclosed