SCHEMBL8201504

SCHEMBL8201504

CC(C)(C)OC(=O)NCc1ccc(NC(=O)[C@H]2O[C@@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
CTSS P25774 4/20 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
CA2 P00918 1/20 0.47
NAMPT P43490 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
PSMB1 P20618 1/20 0.44
PSMB8 P28062 1/20 0.44
PSMB9 P28065 1/20 0.44
PSMB5 P28074 1/20 0.44
PTPN1 P18031 2/20 0.43

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
SCHEMBL7204793 0.93 KDM4E (0.49) KDM4EMAPTTDP1CTSSCTSK
SCHEMBL7204598 0.86 MAPT (0.51) KDM4EMAPTTDP1CTSSCTSK
SCHEMBL7203208 0.86 CTSS (0.42) KDM4EMAPTTDP1CTSSCTSK
Hydrochloric Acid SCHEMBL7205771 0.83 KMT2A (0.47) MEN1KMT2APSMB1PSMB5
Hydrochloric Acid SCHEMBL7205776 0.83 KMT2A (0.47) MEN1KMT2APSMB1PSMB5
SCHEMBL7204787 0.79 L3MBTL1 (0.43) KDM4EMAPTTDP1CTSSCTSK
SCHEMBL6051637 0.79 CTSS (0.74) CTSSCTSKCTSLCTSBAKT1
SCHEMBL7209786 0.79 L3MBTL1 (0.52) MEN1KMT2A
SCHEMBL7209799 0.79 L3MBTL1 (0.52) MEN1KMT2A
SCHEMBL7762733 0.78 KMT2A (0.54) CTSBKMT2APSMB1PSMB5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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