SCHEMBL7202882

SCHEMBL7202882

CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1O[C@@H]1C(=O)Nc1ccccc1CNC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.44
CTSS P25774 3/20 0.43
CTSK P43235 2/20 0.43
CTSB P07858 1/20 0.43
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP14 P50281 1/20 0.42
ATM Q13315 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.40
ITGA4 P13612 2/20 0.39
ITGB7 P26010 1/20 0.39
ACE P12821 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KLK5 Q9Y337 1/20 0.39
PYGL P06737 1/20 0.39

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
SCHEMBL7204598 0.87 MAPT (0.51) CTSLCTSSCTSKCTSBMMP9
SCHEMBL7205866 0.85 CTSS (0.47) CTSLCTSSCTSKCTSBMMP9
SCHEMBL7205858 0.85 CTSS (0.47) CTSLCTSSCTSKCTSBMMP9
SCHEMBL7209769 0.85 CCKBR (0.45) CTSLCTSSCTSKCTSBMMP9
Hydrochloric Acid SCHEMBL7203618 0.82 MMP9 (0.47) MMP9MMP8MMP14ITGA4PYGL
Hydrochloric Acid SCHEMBL7203630 0.82 MMP9 (0.47) MMP9MMP8MMP14ITGA4PYGL
SCHEMBL7202877 0.82 MMP9 (0.41) CTSLCTSSCTSKCTSBMMP9
SCHEMBL14513403 0.80 MMP9 (0.63) MMP9MMP8MMP14KMT2ATDP1
SCHEMBL5587642 0.80 MMP9 (0.63) MMP9MMP8MMP14KMT2ATDP1
SCHEMBL7204513 0.79 CTSS (0.41) CTSLCTSSCTSKCTSBMMP9

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