SCHEMBL6982376

SCHEMBL6982376

CC(C)C[C@@H](C(=O)NN)C(C(=O)O)C(CCCC1CCCCC1)(CC(C)C)C(=O)[C@@H](C)NC(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.41
CTSS P25774 5/20 0.40
REN P00797 1/20 0.40
CYP1A2 P05177 1/20 0.40
CTSL P07711 4/20 0.39
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
CASP1 P29466 1/20 0.38
ITGAV P06756 1/20 0.38
CTSB P07858 1/20 0.38
PREP P48147 1/20 0.37

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 0.88 CTSK (0.46) CTSKCTSSCTSLCTSB
SCHEMBL6983831 0.81 CTSK (0.44) CTSKCTSSCTSLCTSB
SCHEMBL6986934 0.81 CTSK (0.44) CTSKCTSSCTSLCTSB
SCHEMBL6986438 0.80 CTSK (0.45) CTSKCTSSCTSLCTSB
SCHEMBL6983113 0.72 CYP1A2 (0.36) CTSKCTSSRENCYP1A2CTSL
SCHEMBL6986262 0.71 CTSK (0.44) CTSKCTSSCTSLCTSB
SCHEMBL6982381 0.71 CTSK (0.43) CTSKCTSSRENCYP1A2CTSL
SCHEMBL6985021 0.70 CTSK (0.45) CTSKCTSSCTSLCTSB
SCHEMBL25247153 0.68 CTSK (0.63) CTSKCTSSRENCTSLCASP1
SCHEMBL25286871 0.68 CTSK (0.63) CTSKCTSSRENCTSLCASP1

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