SCHEMBL6984877

SCHEMBL6984877

CC(C)C[C@@H](C(=O)NN(CC(C)C)C(=O)Cc1nnn[nH]1)[C@H](CC=Cc1ccccc1)C(=O)NO

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.58
MMP2 P08253 15/20 0.36
MMP3 P08254 15/20 0.36
MMP7 P09237 14/20 0.36
MMP1 P03956 12/20 0.35
MMP8 P22894 2/20 0.35
MMP9 P14780 1/20 0.35
MMP12 P39900 1/20 0.35
MMP13 P45452 1/20 0.35
MMP14 P50281 1/20 0.35
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 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 SCHEMBL6978489 0.99 ADAM17 (0.57) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6982902 0.89 ADAM17 (0.46) ADAM17
SCHEMBL6941955 0.85 ADAM17 (0.67) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6984054 0.84 ADAM17 (0.42) ADAM17
SCHEMBL6986418 0.84 ADAM17 (0.70) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6937771 0.83 ADAM17 (0.69) ADAM17MMP2MMP3MMP7MMP1
Hydrochloric Acid SCHEMBL6985216 0.82 ADAM17 (0.61) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL8097968 0.82 ADAM17 (0.73) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6942575 0.82 ADAM17 (0.73) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6942562 0.82 ADAM17 (0.73) ADAM17MMP2MMP3MMP7MMP1

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