SCHEMBL7204401

SCHEMBL7204401

CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)C1OC1C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 2/20 0.44
MMP8 P22894 2/20 0.44
MMP14 P50281 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.41
TACR1 P25103 1/20 0.41
PYGL P06737 2/20 0.41
MAPT P10636 1/20 0.39
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
F13A1 P00488 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
SCHEMBL7204404 1.00 MMP9 (0.44) MMP9MMP8MMP14MEN1KMT2A
SCHEMBL14513403 0.82 MMP9 (0.63) MMP9MMP8MMP14KMT2APYGL
SCHEMBL5587642 0.82 MMP9 (0.63) MMP9MMP8MMP14KMT2APYGL
SCHEMBL7206063 0.78 MMP9 (0.59) MMP9MMP8MMP14PYGL
SCHEMBL7206070 0.78 MMP9 (0.59) MMP9MMP8MMP14PYGL
SCHEMBL7205745 0.77 ALDH1A1 (0.47) MMP9MMP8MMP14MEN1KMT2A
SCHEMBL7205747 0.77 ALDH1A1 (0.47) MMP9MMP8MMP14MEN1KMT2A
SCHEMBL7207191 0.76 F13A1 (0.56) MMP9MMP8MMP14ITGA4F13A1
SCHEMBL7207193 0.76 F13A1 (0.56) MMP9MMP8MMP14ITGA4F13A1
SCHEMBL7205323 0.76 MMP9 (0.55) MMP9MMP8MMP14MEN1KMT2A

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