SCHEMBL6982082

SCHEMBL6982082

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 14/20 0.45
MMP1 P03956 12/20 0.45
MMP9 P14780 9/20 0.45
TSHR P16473 1/20 0.35
MMP2 P08253 7/20 0.35
MMP14 P50281 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 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
SCHEMBL6981813 0.82 PLA2G4A (0.39) MMP3MMP1MMP9MMP2MMP8
SCHEMBL7539010 0.62 MMP3 (0.54) MMP3MMP1MMP9MMP2MMP14
SCHEMBL6985184 0.62 MMP8 (0.40) MMP3MMP1TSHRMMP2MMP8
SCHEMBL5196301 0.60 HDAC3 (0.63) MMP3MMP1MMP9TSHRMMP2
SCHEMBL27815785 0.60 HDAC3 (0.56) MMP8
SCHEMBL19438906 0.60 GRIK1 (0.67) MMP3MMP1MMP9MMP2MMP8
SCHEMBL28174700 0.59 HDAC1 (0.60)
SCHEMBL9580577 0.59 GRIK1 (0.53) MMP3MMP1MMP2
Propane SCHEMBL8092945 0.58 MAOA (0.74)
SCHEMBL12622729 0.58 HDAC1 (0.62)

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