SCHEMBL6985902

SCHEMBL6985902

CC(C)C[C@@H](C(=O)OCc1ccccc1)[C@H](CCOS(C)(=O)=O)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
PSMB5 P28074 3/20 0.41
SYK P43405 1/20 0.40
CTSK P43235 3/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
XBP1 P17861 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL5677953 0.94 PSMB5 (0.40) POLBPSMB5SYKCTSKMAPT
SCHEMBL5682158 0.94 PSMB5 (0.40) POLBPSMB5SYKCTSKMAPT
SCHEMBL5682124 0.84 POLB (0.45) POLBPSMB5SYKCTSKMAPT
SCHEMBL5682035 0.82 POLB (0.44) POLBPSMB5SYKCTSKMAPT
SCHEMBL7465906 0.82 POLB (0.44) POLBPSMB5SYKCTSKMAPT
SCHEMBL7980355 0.81 POLB (0.43) POLBSYKCTSKMAPTGAA
SCHEMBL7980357 0.81 POLB (0.43) POLBSYKCTSKMAPTGAA
SCHEMBL9327711 0.80 CTSK (0.48) POLBSYKCTSKMAPTGAA
SCHEMBL7043663 0.80 PSMB5 (0.42) POLBPSMB5SYKCTSKMAPT
SCHEMBL7043661 0.80 PSMB5 (0.42) POLBPSMB5SYKCTSKMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1089964-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-10-29 EP disclosed
US-6239151-B1 TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES, OSTEOARTHRITIS, RESPIRATORY DISEASES, TUMORS, CACHEXIA, CARDIOVASCULAR DISEASES, FEVER, HAEMORRHAGE AND SEPSIS, HYDRAZINE DERIVATIVES, HOFFMANN-LA ROCHE INC. 2001-05-29 US disclosed
EP-1089964-A1 HYDRAZINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2001-04-11 EP disclosed
WO-2000000465-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-01-06 WO disclosed