SCHEMBL6981067

SCHEMBL6981067

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

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.46
CA5A P35218 1/20 0.42
CTSS P25774 2/20 0.42
CTSL P07711 2/20 0.42
CTSB P07858 1/20 0.42
CAPN1 P07384 1/20 0.42

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
SCHEMBL6986934 0.92 CTSK (0.44) CTSKCA5ACTSSCTSLCTSB
SCHEMBL6983831 0.92 CTSK (0.44) CTSKCA5ACTSSCTSLCTSB
SCHEMBL6986438 0.92 CTSK (0.45) CTSKCA5ACTSSCTSLCTSB
SCHEMBL6982376 0.88 CTSK (0.41) CTSKCTSSCTSLCTSB
SCHEMBL6986262 0.79 CTSK (0.44) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL6982649 0.77 ANPEP (0.40)
SCHEMBL6985021 0.76 CTSK (0.45) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL28546805 0.73 CTSK (0.62) CTSKCTSSCTSLCTSB
SCHEMBL25282894 0.71 CTSK (0.77) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL6687724 0.71 CTSK (0.77) CTSKCTSSCTSLCTSBCAPN1

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