SCHEMBL7209769

SCHEMBL7209769

CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1O[C@@H]1C(=O)Nc1cccc(CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.45
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
CTSS P25774 3/20 0.42
CTSB P07858 2/20 0.42
CTSK P43235 2/20 0.42
CTSL P07711 1/20 0.42
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP14 P50281 1/20 0.41
ACE P12821 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
KLK5 Q9Y337 1/20 0.41
BRD4 O60885 1/20 0.40
ATM Q13315 3/20 0.40
REN P00797 1/20 0.40

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
SCHEMBL7204598 0.91 MAPT (0.51) KDM4EMAPTTDP1CTSSCTSB
SCHEMBL7202882 0.85 CTSL (0.44) KDM4EMAPTTDP1CTSSCTSB
SCHEMBL7205866 0.85 CTSS (0.47) TDP1CTSSCTSBCTSKCTSL
SCHEMBL7205858 0.85 CTSS (0.47) TDP1CTSSCTSBCTSKCTSL
SCHEMBL7209764 0.84 MAPT (0.40) KDM4EMAPTTDP1MMP9MMP8
SCHEMBL7205323 0.83 MMP9 (0.55) MMP9MMP8MMP14KMT2AMEN1
SCHEMBL7205316 0.83 MMP9 (0.55) MMP9MMP8MMP14KMT2AMEN1
Hydrochloric Acid SCHEMBL7211676 0.83 MMP9 (0.47) MMP9MMP8MMP14
Hydrochloric Acid SCHEMBL7211691 0.83 MMP9 (0.47) MMP9MMP8MMP14
SCHEMBL7204594 0.79 MMP9 (0.41) KDM4EMAPTTDP1MMP9MMP8

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