SCHEMBL6984786

SCHEMBL6984786

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

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.32
MMP1 P03956 5/20 0.32
MMP8 P22894 5/20 0.32
MMP3 P08254 4/20 0.32
MMP9 P14780 4/20 0.32
MMP13 P45452 2/20 0.32
ADAM17 P78536 6/20 0.32
MMP7 P09237 2/20 0.32
TNF P01375 2/20 0.32
MMP20 O60882 1/20 0.32
ADAMTS4 O75173 1/20 0.32
MMP10 P09238 1/20 0.32
MMP12 P39900 1/20 0.32
MMP14 P50281 1/20 0.32
MMP15 P51511 1/20 0.32
MMP16 P51512 1/20 0.32
MMP25 Q9NPA2 1/20 0.32
MMP26 Q9NRE1 1/20 0.32
ADAMTS5 Q9UNA0 1/20 0.32
MMP24 Q9Y5R2 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
Hydrochloric Acid SCHEMBL6986332 0.99 MMP2 (0.32) MMP2MMP1MMP8MMP3MMP9
SCHEMBL6980958 0.81 MMP1 (0.35) MMP2MMP1MMP8MMP3MMP9
SCHEMBL6982649 0.81 ANPEP (0.40) MMP2MMP1MMP8MMP3MMP13
SCHEMBL6945575 0.73 MMP2 (0.39) MMP2MMP1MMP8MMP3MMP9
SCHEMBL6983384 0.72 ADAM17 (0.41) MMP2MMP1MMP3MMP9ADAM17
SCHEMBL6981614 0.72 ADAM17 (0.39) MMP2MMP1MMP8MMP3MMP9
SCHEMBL6980436 0.71 MMP8 (0.36) MMP2MMP1MMP8MMP3MMP9
Hydrochloric Acid SCHEMBL6986445 0.71 ADAM17 (0.39) MMP2MMP1MMP8MMP3MMP9
SCHEMBL6983506 0.68 HPGD (0.37) MMP2MMP1MMP8MMP3MMP9
SCHEMBL6938049 0.68 ADAM17 (0.35) MMP2MMP1MMP8MMP3MMP9

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