SCHEMBL6981072

SCHEMBL6981072

CC(C)C[C@@H](C(=O)NN(CC(C)C)C(=O)[C@@H](C)NC(=O)OCc1ccccc1)C(CCCc1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
CTSL P07711 5/20 0.45
CTSB P07858 3/20 0.45
CTSS P25774 3/20 0.45
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
SCHEMBL6986937 0.91 CTSK (0.44) CTSKMEN1LMNAKMT2ACTSL
SCHEMBL6983836 0.91 CTSK (0.44) CTSKMEN1LMNAKMT2ACTSL
SCHEMBL6982381 0.87 CTSK (0.43) CTSKMEN1LMNAKMT2ACTSL
SCHEMBL6986265 0.79 MMP2 (0.45) CTSKMEN1LMNAKMT2ACTSL
SCHEMBL6982654 0.76 MMP1 (0.52)
SCHEMBL7084384 0.71 CTSK (0.61) CTSKCTSLCTSBCTSSCAPN1
SCHEMBL6939528 0.70 MMP1 (0.47) CTSKCTSLCTSBCTSS
SCHEMBL6939522 0.70 MMP1 (0.47) CTSKCTSLCTSBCTSS
SCHEMBL7762023 0.70 CTSK (0.39) CTSKCTSLCTSBCTSS
SCHEMBL7762022 0.70 CTSK (0.39) CTSKCTSLCTSBCTSS

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