SCHEMBL6982662

SCHEMBL6982662

CC(C)C[C@@H](C(=O)NN)[C@H](C(=O)O)C(/C=C/c1ccccc1)(CC(C)C)C(=O)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 5/20 0.34
LTA4H P09960 1/20 0.33
ANPEP P15144 1/20 0.33
CYP2C19 P33261 1/20 0.33
MMP2 P08253 7/20 0.32
MMP3 P08254 7/20 0.32
MMP7 P09237 5/20 0.32
MMP1 P03956 6/20 0.31
MMP8 P22894 2/20 0.31
MMP9 P14780 2/20 0.31
MMP14 P50281 2/20 0.31
MMP12 P39900 1/20 0.31
MMP13 P45452 1/20 0.31
FCER2 P06734 1/20 0.31
HTT P42858 1/20 0.31
BACE1 P56817 1/20 0.31
CTSL P07711 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL6943849 0.93 ADAM17 (0.39) ADAM17LTA4HANPEPMMP2MMP3
SCHEMBL6986272 0.89 MAPT (0.34) ADAM17CYP2C19
SCHEMBL6945908 0.88 ADAM17 (0.35) ADAM17LTA4HANPEPCYP2C19MMP2
SCHEMBL6939979 0.87 ADAM17 (0.34) ADAM17LTA4HANPEPCYP2C19MMP2
SCHEMBL6984057 0.82 MGLL (0.31) LTA4HANPEPMMP2MMP9
SCHEMBL6945158 0.82 ADAM17 (0.41) ADAM17LTA4HANPEPCYP2C19MMP2
SCHEMBL6943938 0.81 ADAM17 (0.40) ADAM17LTA4HANPEPCYP2C19MMP2
SCHEMBL6981614 0.80 ADAM17 (0.39) ADAM17LTA4HANPEPCYP2C19MMP2
SCHEMBL6983453 0.80 ADAM17 (0.39) ADAM17LTA4HANPEPMMP2MMP3
SCHEMBL6944459 0.80 ADAM17 (0.39) ADAM17LTA4HANPEPMMP2MMP3

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 7 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
EP-1133471-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-09-19 EP disclosed
US-6265446-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES HOFFMANN-LA ROCHE INC.. 2001-07-24 US 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-2000032570-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-08 WO disclosed
WO-2000000465-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-01-06 WO disclosed