SCHEMBL6983030

SCHEMBL6983030

CC(C)C[C@@H](C(=O)NN)[C@H](C(=O)NO)C(CCC1CCCC1)(CC(C)C)C(=O)CC(=O)c1ncc[nH]1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.32
MMP3 P08254 2/20 0.32
MMP7 P09237 2/20 0.32
MMP2 P08253 1/20 0.31
MMP8 P22894 1/20 0.31

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
SCHEMBL7805787 0.89 TDP1 (0.32)
SCHEMBL6980577 0.88 MMP1 (0.35) MMP1MMP3MMP7
SCHEMBL6982555 0.87 ECE1 (0.33) MMP2MMP8
SCHEMBL7812254 0.77 PSEN1 (0.35) MMP1MMP3MMP7MMP2MMP8
SCHEMBL7815484 0.77 MMP8 (0.31) MMP8
SCHEMBL6980958 0.76 MMP1 (0.35) MMP1MMP3MMP7MMP2MMP8
SCHEMBL6983032 0.69 MMP3 (0.34) MMP1MMP3MMP2
SCHEMBL6942689 0.69 MMP1 (0.35) MMP1MMP3MMP7MMP2MMP8
SCHEMBL6978345 0.68
SCHEMBL7812758 0.68

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