SCHEMBL6984066

SCHEMBL6984066

CC(C)C[C@@H](C(=O)NN)[C@@H](C(=O)NO)C(/C=C/c1ccccc1)CC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 6/20 0.39
ANPEP P15144 2/20 0.37
LTA4H P09960 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
MMP3 P08254 5/20 0.36
MMP1 P03956 4/20 0.36
MMP2 P08253 4/20 0.36
MMP9 P14780 1/20 0.36
MMP14 P50281 1/20 0.36
FCER2 P06734 3/20 0.36

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
SCHEMBL6981635 0.87 MAPT (0.35) ADAM17
SCHEMBL6942860 0.80 ADAM17 (0.46) ADAM17ANPEPLTA4HHDAC3HDAC4
SCHEMBL6943368 0.77 ADAM17 (0.37) ADAM17HDAC3HDAC4HDAC1HDAC7
SCHEMBL6942458 0.77 ADAM17 (0.37) ADAM17HDAC3HDAC4HDAC1HDAC7
SCHEMBL7103594 0.76 ECE1 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6943849 0.73 ADAM17 (0.39) ADAM17ANPEPLTA4HMMP3MMP1
SCHEMBL6983531 0.73 REN (0.41) MMP3MMP1MMP2FCER2
SCHEMBL6986700 0.73 PSMB5 (0.36) ADAM17HDAC3HDAC4HDAC1HDAC7
SCHEMBL6221981 0.73 REN (0.37) ADAM17HDAC3HDAC4HDAC1HDAC7
SCHEMBL6979636 0.73 ADAM17 (0.35) ADAM17HDAC3HDAC4HDAC1HDAC7

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