SCHEMBL6985193

SCHEMBL6985193

CC(C)C[C@@H](C(=O)NN(Cc1ccccc1)C(=O)CCCN)[C@H](CCCc1ccccc1)C(=O)NO

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.50
MMP13 P45452 1/20 0.50
MMP8 P22894 2/20 0.43
FCER2 P06734 4/20 0.41
MMP3 P08254 4/20 0.40
TSHR P16473 1/20 0.40
MMP2 P08253 3/20 0.39
MMP9 P14780 2/20 0.39
MMP7 P09237 2/20 0.39
ANPEP P15144 1/20 0.39
ADAM17 P78536 2/20 0.38
F2 P00734 1/20 0.38

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
SCHEMBL6981697 0.90 MMP1 (0.43) MMP1MMP13MMP8FCER2MMP3
SCHEMBL6982089 0.89 MMP1 (0.47) MMP1MMP13MMP8FCER2MMP3
SCHEMBL7816201 0.81 MMP1 (0.44) MMP1MMP13MMP8MMP3MMP2
SCHEMBL6980811 0.80 MMP1 (0.44) MMP1MMP13MMP8FCER2MMP3
SCHEMBL6982654 0.80 MMP1 (0.52) MMP1MMP13MMP8FCER2MMP3
SCHEMBL6982401 0.79 APP (0.37) MMP1MMP13MMP8MMP3MMP2
SCHEMBL7099919 0.78 ADAM17 (0.51) MMP1MMP13MMP8FCER2MMP3
SCHEMBL7855580 0.77 MMP1 (0.62) MMP1MMP13MMP8FCER2MMP3
SCHEMBL6941577 0.76 MMP1 (0.50) MMP1MMP13MMP8FCER2MMP3
SCHEMBL6988470 0.75 ADAM17 (0.64) MMP1MMP13MMP8FCER2MMP3

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