SCHEMBL7204605

SCHEMBL7204605

CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1O[C@@H]1C(=O)NCCc1c[nH]cn1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 2/20 0.44
MMP8 P22894 2/20 0.44
MMP14 P50281 1/20 0.44
PYGL P06737 11/20 0.41
MMP3 P08254 1/20 0.40
KMT2A Q03164 1/20 0.39
ITGA4 P13612 1/20 0.37
CAPN1 P07384 3/20 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
SCHEMBL7204595 1.00 MMP9 (0.44) MMP9MMP8MMP14PYGLMMP3
SCHEMBL29706360 0.87 KMT2A (0.53) MMP9MMP8MMP14PYGLMMP3
SCHEMBL14513402 0.87 KMT2A (0.53) MMP9MMP8MMP14PYGLMMP3
SCHEMBL7207300 0.87 KMT2A (0.53) MMP9MMP8MMP14PYGLMMP3
SCHEMBL7207304 0.87 KMT2A (0.53) MMP9MMP8MMP14PYGLMMP3
SCHEMBL7203960 0.86 MMP9 (0.53) MMP9MMP8MMP14PYGLMMP3
SCHEMBL7203966 0.86 MMP9 (0.53) MMP9MMP8MMP14PYGLMMP3
SCHEMBL8205498 0.84 MMP9 (0.43) MMP9MMP8MMP14PYGLMMP3
SCHEMBL7211686 0.84 MMP9 (0.43) MMP9MMP8MMP14PYGLMMP3
SCHEMBL7211698 0.84 MMP9 (0.43) MMP9MMP8MMP14PYGLMMP3

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