SCHEMBL6979940

SCHEMBL6979940

CCCC(CC(CC)CC)(C(=O)NN)C(=O)[C@@H]([C@H](CCCc1ccccc1)C(=O)NO)n1cc(C)nn1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 7/20 0.34
MMP2 P08253 5/20 0.34
HDAC8 Q9BY41 1/20 0.31
MMP1 P03956 5/20 0.31
TSHR P16473 1/20 0.31
MMP13 P45452 1/20 0.30
MMP9 P14780 1/20 0.30

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
SCHEMBL6980306 0.93 MMP2 (0.32) MMP3MMP2HDAC8MMP1TSHR
SCHEMBL6980808 0.92 MMP3 (0.34) MMP3MMP2HDAC8MMP1TSHR
SCHEMBL6982838 0.81 MMP2 (0.34) MMP3MMP2MMP1TSHRMMP13
SCHEMBL6983239 0.75 MMP2 (0.32) MMP3MMP2MMP1TSHRMMP13
SCHEMBL6985386 0.68 FKBP1A (0.32) MMP3MMP2MMP1MMP9
SCHEMBL7142417 0.66 MMP2 (0.36) MMP3MMP2MMP1MMP9
SCHEMBL6982082 0.62 MMP3 (0.45) MMP3MMP2MMP1TSHRMMP9
SCHEMBL6981813 0.62 PLA2G4A (0.39) MMP3MMP2MMP1MMP9
SCHEMBL6941574 0.59 ADAM17 (0.38) MMP3MMP2MMP1TSHRMMP9
SCHEMBL7855580 0.57 MMP1 (0.62) MMP3MMP2MMP1TSHRMMP13

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