SCHEMBL7204787

SCHEMBL7204787

CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1OC1C(=O)Nc1ccc(C(N)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
CTSS P25774 3/20 0.42
CTSK P43235 2/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
AKT1 P31749 1/20 0.42
CAPN1 P07384 3/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTPN1 P18031 3/20 0.39
PTPRA P18433 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
SCHEMBL7203208 0.93 CTSS (0.42) CTSSCTSKCTSLCTSBAKT1
SCHEMBL7204793 0.86 KDM4E (0.49) L3MBTL1CTSSCTSKCTSLCTSB
SCHEMBL7204594 0.86 MMP9 (0.41) CAPN1POLBKDM4EMAPTTDP1
SCHEMBL7209786 0.82 L3MBTL1 (0.52) L3MBTL1CAPN1POLBTACR2
SCHEMBL7209799 0.82 L3MBTL1 (0.52) L3MBTL1CAPN1POLBTACR2
Hydrochloric Acid SCHEMBL8205863 0.82 L3MBTL1 (0.49) L3MBTL1CAPN1POLB
SCHEMBL8201504 0.79 KDM4E (0.49) CTSSCTSKCTSLCTSBAKT1
SCHEMBL7206727 0.77 L3MBTL1 (0.59) L3MBTL1CTSSCTSKCTSLCTSB
SCHEMBL8349149 0.77 L3MBTL1 (0.59) L3MBTL1CTSSCTSKCTSLCTSB
SCHEMBL7206720 0.77 L3MBTL1 (0.59) L3MBTL1CTSSCTSKCTSLCTSB

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