SCHEMBL6981813

SCHEMBL6981813

CCCC(C[C@](C)(CCC)[C@H](CCCc1ccccc1)C(=O)NO)(C(=O)Cn1ccnc1)C(=O)NN

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.39
MMP1 P03956 7/20 0.37
MMP3 P08254 7/20 0.37
MMP9 P14780 4/20 0.36
HMOX2 P30519 1/20 0.35
MMP2 P08253 1/20 0.35
MMP8 P22894 1/20 0.35

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
SCHEMBL6982082 0.82 MMP3 (0.45) MMP1MMP3MMP9MMP2MMP8
SCHEMBL6984379 0.79 CYP19A1 (0.35) HMOX2
SCHEMBL27454770 0.75 HMOX2 (0.43) HMOX2
SCHEMBL27453235 0.65 ALDH1A1 (0.43) HMOX2
SCHEMBL7816193 0.65 CTSS (0.35) HMOX2MMP8
SCHEMBL8804388 0.64 TBXAS1 (0.59) HMOX2
SCHEMBL6980808 0.64 MMP3 (0.34) MMP1MMP3MMP9MMP2MMP8
Hydrochloric Acid SCHEMBL9996084 0.63 TBXAS1 (0.61) HMOX2
SCHEMBL410597 0.61 HMOX2 (0.61) HMOX2
SCHEMBL10824518 0.61 CYP24A1 (0.49) MMP2

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