SCHEMBL6982649

SCHEMBL6982649

CC(C)C[C@@H](C(=O)NN)C(C(=O)NO)C(CCc1ccccc1)(CC(C)C)C(=O)[C@@H](C)N

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.40
MMP8 P22894 2/20 0.40
MMP1 P03956 5/20 0.40
MMP2 P08253 3/20 0.40
MMP3 P08254 3/20 0.40
TSHR P16473 1/20 0.39
FCER2 P06734 4/20 0.39
MMP13 P45452 1/20 0.37
ADAM17 P78536 2/20 0.37
MMP7 P09237 1/20 0.37

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
SCHEMBL6980436 0.85 MMP8 (0.36) ANPEPMMP8MMP1MMP2MMP3
SCHEMBL6984786 0.81 MMP2 (0.32) MMP8MMP1MMP2MMP3MMP13
Hydrochloric Acid SCHEMBL6986332 0.80 MMP2 (0.32) MMP8MMP1MMP2MMP3MMP13
SCHEMBL6985184 0.79 MMP8 (0.40) ANPEPMMP8MMP1MMP2MMP3
SCHEMBL6980958 0.79 MMP1 (0.35) MMP8MMP1MMP2MMP3ADAM17
SCHEMBL6983143 0.78 ALDH1A1 (0.34) MMP8MMP1MMP2MMP3TSHR
SCHEMBL6981067 0.77 CTSK (0.46)
SCHEMBL6986934 0.77 CTSK (0.44)
SCHEMBL6986438 0.76 CTSK (0.45)
SCHEMBL6981614 0.76 ADAM17 (0.39) ANPEPMMP8MMP1MMP2MMP3

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