SCHEMBL6983384

SCHEMBL6983384

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 4/20 0.41
MMP1 P03956 6/20 0.35
MMP3 P08254 5/20 0.35
ANPEP P15144 2/20 0.35
LTA4H P09960 1/20 0.35
FCER2 P06734 5/20 0.35
MMP2 P08253 3/20 0.35
MMP9 P14780 1/20 0.35
MMP14 P50281 1/20 0.35
CTSL P07711 2/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
MMP7 P09237 1/20 0.34

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
SCHEMBL6982649 0.76 ANPEP (0.40) ADAM17MMP1MMP3ANPEPFCER2
SCHEMBL6981614 0.76 ADAM17 (0.39) ADAM17MMP1MMP3ANPEPLTA4H
SCHEMBL6985021 0.75 CTSK (0.45) CTSLCTSBCTSSCTSK
Hydrochloric Acid SCHEMBL6986445 0.75 ADAM17 (0.39) ADAM17MMP1MMP3ANPEPLTA4H
SCHEMBL6944459 0.72 ADAM17 (0.39) ADAM17MMP1MMP3ANPEPLTA4H
SCHEMBL7815151 0.72 ADAM17 (0.38) ADAM17MMP1MMP3ANPEPLTA4H
SCHEMBL6984786 0.72 MMP2 (0.32) ADAM17MMP1MMP3MMP2MMP9
SCHEMBL6942381 0.71 ADAM17 (0.40) ADAM17MMP1MMP3ANPEPLTA4H
SCHEMBL6943938 0.71 ADAM17 (0.40) ADAM17MMP1MMP3ANPEPLTA4H
Hydrochloric Acid SCHEMBL6986332 0.71 MMP2 (0.32) ADAM17MMP1MMP3MMP2MMP9

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