SCHEMBL6983032

SCHEMBL6983032

CC(C)C[C@@H](C(=O)NN(CC(C)C)C(=O)CC(=O)c1ncc[nH]1)[C@H](CCCC1CCCC1)C(=O)NO

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 5/20 0.34
MMP1 P03956 3/20 0.34
BMP1 P13497 15/20 0.33
APP P05067 1/20 0.33
ADAM17 P78536 1/20 0.32
MMP2 P08253 4/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 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
SCHEMBL6980581 0.89 ADAM17 (0.36) MMP3MMP1ADAM17MMP2MMP13
SCHEMBL6982558 0.86 BMP1 (0.33) BMP1APPMMP2
SCHEMBL6980963 0.75 MMP1 (0.36) MMP3MMP1BMP1APPADAM17
SCHEMBL6987397 0.71 BMP1 (0.37) MMP3MMP1BMP1APPADAM17
SCHEMBL6942694 0.71 ADAM17 (0.51) MMP3MMP1BMP1ADAM17MMP2
SCHEMBL6982620 0.70 BMP1 (0.39) MMP1BMP1APPADAM17MMP2
SCHEMBL6987387 0.70 BMP1 (0.36) MMP3MMP1BMP1APPADAM17
SCHEMBL6983030 0.69 MMP1 (0.32) MMP3MMP1MMP2
SCHEMBL6978346 0.68 REN (0.31)
SCHEMBL6989548 0.67 BMP1 (0.35) MMP3MMP1BMP1APPADAM17

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