SCHEMBL6983166

SCHEMBL6983166

CC(C)C[C@@H](C(=O)NN(CC(C)C)C(=O)CCN1C(=O)c2ccccc2C1=O)[C@H](CC=Cc1ccccc1)C(=O)NOC1CCCCO1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.42
MMP1 P03956 3/20 0.34
MMP2 P08253 3/20 0.34
MMP3 P08254 2/20 0.34
MMP8 P22894 2/20 0.34
MMP13 P45452 2/20 0.34
KMT2A Q03164 4/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
MMP9 P14780 2/20 0.32
TGFBR1 P36897 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ADAM10 O14672 1/20 0.31
MMP14 P50281 1/20 0.31
MEN1 O00255 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL6987312 0.89 ADAM17 (0.46) ADAM17MMP2MMP9TGFBR1
SCHEMBL6988555 0.88 ADAM17 (0.45) ADAM17MMP2MMP9TGFBR1
SCHEMBL6945800 0.88 ADAM17 (0.47) ADAM17MMP2MMP3MMP9TGFBR1
SCHEMBL6945376 0.87 ADAM17 (0.49) ADAM17MMP2MMP9TGFBR1
SCHEMBL6945370 0.87 ADAM17 (0.49) ADAM17MMP2MMP9TGFBR1
SCHEMBL6980513 0.86 ADAM17 (0.45) ADAM17MMP1MMP2MMP3MMP13
SCHEMBL6946853 0.86 ADAM17 (0.50) ADAM17MMP2ALDH1A1MMP9TGFBR1
SCHEMBL6944949 0.86 ADAM17 (0.52) ADAM17MMP1MMP2MMP3MMP8
SCHEMBL6984710 0.86 ADAM17 (0.45) ADAM17TGFBR1
SCHEMBL6984225 0.86 ADAM17 (0.45) ADAM17TGFBR1

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