SCHEMBL6986937

SCHEMBL6986937

CC(C)C[C@@H](C(=O)NN(CC(C)C)C(=O)[C@@H](C)NC(=O)OCc1ccccc1)C(CCCc1ccccc1)C(=O)NOCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.44
MMP8 P22894 1/20 0.43
MMP14 P50281 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
CTSL P07711 5/20 0.42
CTSB P07858 3/20 0.42
CTSS P25774 3/20 0.42
MMP1 P03956 1/20 0.42
MMP13 P45452 1/20 0.42
CA5A P35218 1/20 0.41

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
SCHEMBL6983836 1.00 CTSK (0.44) CTSKMMP8MMP14MEN1LMNA
SCHEMBL6981072 0.91 CTSK (0.46) CTSKMEN1LMNAKMT2ACTSL
SCHEMBL6986265 0.87 MMP2 (0.45) CTSKMMP8MMP14MEN1LMNA
SCHEMBL6982381 0.79 CTSK (0.43) CTSKMEN1LMNAKMT2ACTSL
SCHEMBL6982654 0.77 MMP1 (0.52) MMP8MMP14MMP1MMP13
SCHEMBL6942091 0.72 ADAM17 (0.46) MMP8CTSLCTSBMMP1MMP13
SCHEMBL24252163 0.71 CYP2D6 (0.46) MMP8MMP14LMNAKMT2A
SCHEMBL16156196 0.71 CYP2D6 (0.46) MMP8MMP14LMNAKMT2A
SCHEMBL7946725 0.70 MMP1 (0.42) CTSKMMP8MMP14KMT2ACTSL
SCHEMBL7946723 0.70 MMP1 (0.42) CTSKMMP8MMP14KMT2ACTSL

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