SCHEMBL7202877

SCHEMBL7202877

CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)C1OC1C(=O)Nc1ccccc1C(N)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 2/20 0.41
MMP8 P22894 2/20 0.41
MMP14 P50281 1/20 0.41
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MLYCD O95822 1/20 0.37
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37
KLK5 Q9Y337 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PYGL P06737 2/20 0.37
HCRTR1 O43613 1/20 0.37
MMP3 P08254 1/20 0.36
CTSS P25774 2/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSK P43235 1/20 0.36
ROCK2 O75116 2/20 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
SCHEMBL7204594 0.86 MMP9 (0.41) MMP9MMP8MMP14MLYCDITGA4
SCHEMBL7209764 0.84 MAPT (0.40) MMP9MMP8MMP14ITGA4KLK5
SCHEMBL7202882 0.82 CTSL (0.44) MMP9MMP8MMP14ITGA4ITGB7
SCHEMBL14513403 0.79 MMP9 (0.63) MMP9MMP8MMP14TDP1PYGL
SCHEMBL5587642 0.79 MMP9 (0.63) MMP9MMP8MMP14TDP1PYGL
Hydrochloric Acid SCHEMBL7203618 0.78 MMP9 (0.47) MMP9MMP8MMP14ITGA4PYGL
Hydrochloric Acid SCHEMBL7203630 0.78 MMP9 (0.47) MMP9MMP8MMP14ITGA4PYGL
SCHEMBL7209769 0.78 CCKBR (0.45) MMP9MMP8MMP14KLK5MAPT
SCHEMBL7205858 0.77 CTSS (0.47) MMP9MMP8MMP14KLK5TDP1
SCHEMBL7205866 0.77 CTSS (0.47) MMP9MMP8MMP14KLK5TDP1

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 3 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
EP-0921122-A1 NOVEL EPOXYSUCCINAMIDE DERIVATIVES OR SALTS THEREOF TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 1999-06-09 EP disclosed