SCHEMBL6981614

SCHEMBL6981614

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 6/20 0.39
LTA4H P09960 1/20 0.35
ANPEP P15144 1/20 0.35
MMP3 P08254 10/20 0.35
MMP2 P08253 8/20 0.35
MMP7 P09237 5/20 0.35
MMP1 P03956 10/20 0.35
MMP9 P14780 2/20 0.35
MMP14 P50281 2/20 0.35
FCER2 P06734 2/20 0.35
MMP8 P22894 2/20 0.35
MMP12 P39900 1/20 0.35
MMP13 P45452 1/20 0.35
CYP2C19 P33261 1/20 0.33

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
Hydrochloric Acid SCHEMBL6986445 0.99 ADAM17 (0.39) ADAM17LTA4HANPEPMMP3MMP2
SCHEMBL7815151 0.93 ADAM17 (0.38) ADAM17LTA4HANPEPMMP3MMP2
SCHEMBL6943938 0.93 ADAM17 (0.40) ADAM17LTA4HANPEPMMP3MMP2
Hydrochloric Acid SCHEMBL6986403 0.92 ADAM17 (0.38) ADAM17LTA4HANPEPMMP3MMP2
Hydrochloric Acid SCHEMBL6984713 0.92 ADAM17 (0.38) ADAM17LTA4HANPEPMMP3MMP2
SCHEMBL6981660 0.92 ADAM17 (0.39) ADAM17LTA4HANPEPMMP3MMP2
SCHEMBL6983453 0.92 ADAM17 (0.39) ADAM17LTA4HANPEPMMP3MMP2
Hydrochloric Acid SCHEMBL6986535 0.91 ADAM17 (0.37) ADAM17LTA4HANPEPMMP3MMP2
SCHEMBL6945158 0.90 ADAM17 (0.41) ADAM17LTA4HANPEPMMP3MMP2
SCHEMBL6983200 0.90 ADAM17 (0.37) ADAM17MMP3MMP2MMP7MMP1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1089964-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-10-29 EP claimed
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 claimed
EP-1089964-A1 HYDRAZINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2001-04-11 EP claimed
WO-2000000465-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-01-06 WO claimed
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