SCHEMBL6987436

SCHEMBL6987436

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)NS(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 10/20 0.42
HTT P42858 1/20 0.34
MMP2 P08253 5/20 0.33
MMP3 P08254 5/20 0.33
MMP7 P09237 3/20 0.33
MMP8 P22894 3/20 0.32
LTA4H P09960 1/20 0.32
ANPEP P15144 1/20 0.32
MMP1 P03956 5/20 0.32
MMP9 P14780 2/20 0.32
MMP14 P50281 2/20 0.32
MMP12 P39900 1/20 0.32
MMP13 P45452 1/20 0.32
FCER2 P06734 1/20 0.32

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
SCHEMBL6943938 0.88 ADAM17 (0.40) ADAM17MMP2MMP3MMP7MMP8
SCHEMBL6985913 0.87 ADAM17 (0.37) ADAM17MMP2MMP3MMP7MMP8
SCHEMBL6985076 0.87 ADAM17 (0.37) ADAM17MMP2MMP3MMP7MMP8
SCHEMBL6981660 0.87 ADAM17 (0.39) ADAM17MMP2MMP3MMP7MMP8
SCHEMBL6981614 0.87 ADAM17 (0.39) ADAM17MMP2MMP3MMP7MMP8
SCHEMBL6983453 0.87 ADAM17 (0.39) ADAM17MMP2MMP3MMP7MMP8
Hydrochloric Acid SCHEMBL6986445 0.86 ADAM17 (0.39) ADAM17MMP2MMP3MMP7MMP8
SCHEMBL6982009 0.85 ADAM17 (0.43) ADAM17MMP2MMP3MMP7MMP8
SCHEMBL7813083 0.85 ADAM17 (0.43) ADAM17MMP2MMP3MMP7MMP8
Hydrochloric Acid SCHEMBL6986403 0.85 ADAM17 (0.38) ADAM17MMP2MMP3MMP7MMP8

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 2 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