SCHEMBL8098302

SCHEMBL8098302

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

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 4/20 0.66
MMP2 P08253 13/20 0.45
MMP1 P03956 10/20 0.45
MMP8 P22894 5/20 0.45
MMP13 P45452 2/20 0.45
MMP3 P08254 11/20 0.40
MMP7 P09237 7/20 0.37
MMP9 P14780 2/20 0.33
MMP12 P39900 1/20 0.33
MMP14 P50281 1/20 0.33
TNF P01375 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
SCHEMBL6938052 1.00 ADAM17 (0.66) ADAM17MMP2MMP1MMP8MMP13
SCHEMBL6945863 0.89 ADAM17 (0.55) ADAM17MMP2MMP1MMP8MMP13
SCHEMBL6945579 0.84 ADAM17 (0.62) ADAM17MMP2MMP1MMP8MMP13
SCHEMBL6940043 0.83 ADAM17 (0.48) ADAM17MMP2MMP1MMP8MMP13
SCHEMBL6943815 0.80 ADAM17 (0.62) ADAM17MMP2MMP1MMP8MMP13
SCHEMBL13274076 0.79 ADAM17 (1.00) ADAM17MMP2MMP1MMP8MMP13
SCHEMBL6813844 0.79 ADAM17 (1.00) ADAM17MMP2MMP1MMP8MMP13
SCHEMBL4481744 0.79 ADAM17 (1.00) ADAM17MMP2MMP1MMP8MMP13
SCHEMBL6813847 0.79 ADAM17 (1.00) ADAM17MMP2MMP1MMP8MMP13
SCHEMBL3500092 0.79 ADAM17 (1.00) ADAM17MMP2MMP1MMP8MMP13

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-0993442-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-04-19 EP disclosed
WO-1999001428-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-01-14 WO disclosed