SCHEMBL7204427

SCHEMBL7204427

CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1O[C@@H]1C(=O)NCCc1ccc(N)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 3/20 0.47
MMP8 P22894 3/20 0.47
MMP14 P50281 1/20 0.47
KMT2A Q03164 2/20 0.43
PYGL P06737 2/20 0.41
OPRM1 P35372 2/20 0.40
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
PSMB1 P20618 1/20 0.40
PSMB5 P28074 1/20 0.40
PSMB2 P49721 1/20 0.40
MMP3 P08254 1/20 0.39
HIF1A Q16665 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 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
SCHEMBL7204419 1.00 MMP9 (0.47) MMP9MMP8MMP14KMT2APYGL
SCHEMBL7203960 0.94 MMP9 (0.53) MMP9MMP8MMP14KMT2APYGL
SCHEMBL7203966 0.94 MMP9 (0.53) MMP9MMP8MMP14KMT2APYGL
Hydrochloric Acid SCHEMBL7211750 0.89 MMP9 (0.48) MMP9MMP8MMP14PYGLMMP3
Hydrochloric Acid SCHEMBL7211742 0.89 MMP9 (0.48) MMP9MMP8MMP14PYGLMMP3
SCHEMBL7210401 0.89 CA2 (0.48) KMT2AALDH1A1
SCHEMBL7210404 0.89 CA2 (0.48) KMT2AALDH1A1
SCHEMBL30552675 0.87 KMT2A (0.46) MMP9MMP8MMP14KMT2APYGL
SCHEMBL7211698 0.87 MMP9 (0.43) MMP9MMP8MMP14KMT2APYGL
SCHEMBL7211704 0.87 MMP9 (0.43) MMP9MMP8MMP14KMT2APYGL

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