SCHEMBL7204513

SCHEMBL7204513

CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1O[C@@H]1C(=O)N(CCNC(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.41
CTSK P43235 2/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP14 P50281 1/20 0.41
ATM Q13315 2/20 0.40
KMT2A Q03164 2/20 0.40
AKT1 P31749 1/20 0.40
MEN1 O00255 1/20 0.39
ACE P12821 1/20 0.38
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
KLK5 Q9Y337 1/20 0.38
PTPN1 P18031 1/20 0.38
MAPK1 P28482 2/20 0.37
PAX8 Q06710 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL7204510 1.00 CTSS (0.41) CTSSCTSKCTSLCTSBMMP9
SCHEMBL7205858 0.88 CTSS (0.47) CTSSCTSKCTSLCTSBMMP9
SCHEMBL7205866 0.88 CTSS (0.47) CTSSCTSKCTSLCTSBMMP9
Hydrochloric Acid SCHEMBL7209840 0.82 MMP9 (0.47) MMP9MMP8MMP14
Hydrochloric Acid SCHEMBL7209843 0.82 MMP9 (0.47) MMP9MMP8MMP14
SCHEMBL7204598 0.80 MAPT (0.51) CTSSCTSKCTSLCTSBMMP9
SCHEMBL7202882 0.79 CTSL (0.44) CTSSCTSKCTSLCTSBMMP9
SCHEMBL7209769 0.79 CCKBR (0.45) CTSSCTSKCTSLCTSBMMP9
SCHEMBL14513403 0.78 MMP9 (0.63) MMP9MMP8MMP14KMT2ATDP1
SCHEMBL5587642 0.78 MMP9 (0.63) MMP9MMP8MMP14KMT2ATDP1

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