SCHEMBL7204793

SCHEMBL7204793

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
CTSS P25774 3/20 0.48
CTSK P43235 3/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
AKT1 P31749 1/20 0.48
PTPN1 P18031 4/20 0.45
PTPRA P18433 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NAMPT P43490 1/20 0.44
HDAC8 Q9BY41 1/20 0.44

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
SCHEMBL8201504 0.93 KDM4E (0.49) KDM4EMAPTTDP1CTSSCTSK
SCHEMBL7209799 0.86 L3MBTL1 (0.52) L3MBTL1MEN1KMT2A
SCHEMBL7209786 0.86 L3MBTL1 (0.52) L3MBTL1MEN1KMT2A
SCHEMBL7204598 0.86 MAPT (0.51) KDM4EMAPTTDP1CTSSCTSK
SCHEMBL7204787 0.86 L3MBTL1 (0.43) KDM4EMAPTTDP1CTSSCTSK
Hydrochloric Acid SCHEMBL8205863 0.84 L3MBTL1 (0.49) L3MBTL1MEN1KMT2A
SCHEMBL7206727 0.79 L3MBTL1 (0.59) CTSSCTSKCTSLCTSBL3MBTL1
SCHEMBL7206720 0.79 L3MBTL1 (0.59) CTSSCTSKCTSLCTSBL3MBTL1
SCHEMBL8349149 0.79 L3MBTL1 (0.59) CTSSCTSKCTSLCTSBL3MBTL1
SCHEMBL7203208 0.79 CTSS (0.42) KDM4EMAPTTDP1CTSSCTSK

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