SCHEMBL7203208

SCHEMBL7203208

CC(C)(C)OC(=O)C(N)c1ccc(NC(=O)C2OC2C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.42
CTSK P43235 2/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CA2 P00918 1/20 0.42
AKT1 P31749 1/20 0.42
KMT2A Q03164 1/20 0.41
EPHX1 P07099 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CAPN1 P07384 2/20 0.39
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
TACR2 P21452 4/20 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
SCHEMBL7204787 0.93 L3MBTL1 (0.43) CTSSCTSKCTSLCTSBAKT1
SCHEMBL8201504 0.86 KDM4E (0.49) CTSSCTSKCTSLCTSBCA2
SCHEMBL7204594 0.86 MMP9 (0.41) KMT2AKDM4EMAPTTDP1CAPN1
Hydrochloric Acid SCHEMBL7205776 0.81 KMT2A (0.47) KMT2ACAPN1
Hydrochloric Acid SCHEMBL7205771 0.81 KMT2A (0.47) KMT2ACAPN1
SCHEMBL7204793 0.79 KDM4E (0.49) CTSSCTSKCTSLCTSBAKT1
SCHEMBL7209764 0.77 MAPT (0.40) CA2KDM4EMAPTTDP1CAPN1
SCHEMBL7762733 0.76 KMT2A (0.54) CTSBKMT2ACAPN1
SCHEMBL7762722 0.76 KMT2A (0.54) CTSBKMT2ACAPN1
SCHEMBL8348444 0.76 KMT2A (0.54) CTSBKMT2ACAPN1

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