SCHEMBL6986438

SCHEMBL6986438

CC(C)C[C@@H](C(=O)NN)C(C(=O)OC(C)(C)C)C(CCc1ccccc1)(CC(C)C)C(=O)[C@@H](C)NC(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.45
PSMB5 P28074 2/20 0.41
CTSS P25774 3/20 0.41
CTSL P07711 2/20 0.41
CA5A P35218 1/20 0.40
SYK P43405 1/20 0.40
CTSB P07858 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
SCHEMBL6981067 0.92 CTSK (0.46) CTSKCTSSCTSLCA5ACTSB
SCHEMBL6983831 0.89 CTSK (0.44) CTSKCTSSCTSLCA5ACTSB
SCHEMBL6986934 0.89 CTSK (0.44) CTSKCTSSCTSLCA5ACTSB
SCHEMBL6982376 0.80 CTSK (0.41) CTSKCTSSCTSLCTSB
SCHEMBL6982649 0.76 ANPEP (0.40)
SCHEMBL6986262 0.76 CTSK (0.44) CTSKCTSSCTSLCTSB
SCHEMBL6985021 0.73 CTSK (0.45) CTSKCTSSCTSLCTSB
SCHEMBL2958133 0.71 SYK (0.62) CTSKCTSSCTSLSYKCTSB
SCHEMBL2958129 0.71 SYK (0.62) CTSKCTSSCTSLSYKCTSB
SCHEMBL16463509 0.71 CTSK (0.69) CTSKPSMB5CTSSCTSLCTSB

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