SCHEMBL7204598

SCHEMBL7204598

CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1O[C@@H]1C(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
TDP1 Q9NUW8 4/20 0.51
KDM4E B2RXH2 3/20 0.51
NAMPT P43490 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CTSS P25774 3/20 0.43
CTSK P43235 3/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP14 P50281 1/20 0.43
MAPK1 P28482 1/20 0.43
ATM Q13315 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PABPC1 P11940 1/20 0.42
FPR3 P25089 1/20 0.42
FPR2 P25090 1/20 0.42
F7 P08709 1/20 0.42

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
SCHEMBL7209769 0.91 CCKBR (0.45) MAPTTDP1KDM4EKMT2AMEN1
SCHEMBL7202882 0.87 CTSL (0.44) MAPTTDP1KDM4EKMT2AMEN1
SCHEMBL7207459 0.86 ITGA4 (0.47) MAPTMMP9MMP8MMP14F7
SCHEMBL7205866 0.86 CTSS (0.47) TDP1KMT2AMEN1CTSSCTSK
SCHEMBL7205858 0.86 CTSS (0.47) TDP1KMT2AMEN1CTSSCTSK
SCHEMBL7204793 0.86 KDM4E (0.49) MAPTTDP1KDM4ENAMPTKMT2A
SCHEMBL8201504 0.86 KDM4E (0.49) MAPTTDP1KDM4ENAMPTKMT2A
SCHEMBL7205323 0.84 MMP9 (0.55) KMT2AMEN1MMP9MMP8MMP14
SCHEMBL7205316 0.84 MMP9 (0.55) KMT2AMEN1MMP9MMP8MMP14
SCHEMBL7204594 0.84 MMP9 (0.41) MAPTTDP1KDM4EKMT2AMEN1

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