SCHEMBL6984617

SCHEMBL6984617

CCCC(C=O)(C[C@](C)(CCC)[C@H](CCCc1ccccc1)C(=O)NOC1CCCCO1)C(=O)[C@@H](C)N

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 9/20 0.33
MMP3 P08254 5/20 0.33
FKBP1A P62942 2/20 0.33
MMP1 P03956 1/20 0.32
REN P00797 4/20 0.31
CXCR2 P25025 1/20 0.31
EPHX2 P34913 2/20 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
SCHEMBL6984895 0.73 CTSC (0.33)
SCHEMBL4290067 0.73 MMP2 (0.41) MMP2MMP3FKBP1AMMP1EPHX2
SCHEMBL7478743 0.72 MMP2 (0.39) MMP2MMP3FKBP1AMMP1REN
SCHEMBL7840445 0.69 MMP1 (0.46) MMP2MMP3MMP1EPHX2
SCHEMBL7840440 0.69 LMNA (0.40) MMP2MMP3MMP1EPHX2
SCHEMBL7928679 0.68 LONP1 (0.33) MMP2MMP3REN
SCHEMBL5020595 0.67 HDAC1 (0.48)
SCHEMBL4287736 0.67 EPHX2 (0.40) MMP2MMP3FKBP1AEPHX2
SCHEMBL6983815 0.66 MMP1 (0.41) MMP2MMP3MMP1EPHX2
SCHEMBL9836588 0.66 EPHX2 (0.54) EPHX2

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