SCHEMBL6947013

SCHEMBL6947013

CC(C)C[C@@H](C(=O)NN(CC(C)C)S(C)(=O)=O)[C@@H](C(=O)NO)C1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 15/20 0.52
MMP8 P22894 13/20 0.52
ADAM17 P78536 2/20 0.52
MMP2 P08253 16/20 0.42
MMP13 P45452 8/20 0.42
MMP3 P08254 12/20 0.42
MMP9 P14780 5/20 0.41
MMP14 P50281 2/20 0.41
MMP7 P09237 1/20 0.34
LTA4H P09960 1/20 0.32
ANPEP P15144 1/20 0.32
LAP3 P28838 1/20 0.32
NPEPPS P55786 1/20 0.32
ERAP2 Q6P179 1/20 0.32
ERAP1 Q9NZ08 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
SCHEMBL6947526 0.89 ADAM17 (0.47) MMP1MMP8ADAM17MMP2MMP13
SCHEMBL6944230 0.81 ADAM17 (0.40) MMP1MMP8ADAM17MMP2MMP13
SCHEMBL6947666 0.81 ADAM17 (0.37) MMP1MMP8ADAM17
SCHEMBL7928825 0.81 ADAM17 (0.37) MMP1MMP8ADAM17
SCHEMBL6940034 0.80 ADAM17 (0.52) MMP1MMP8ADAM17MMP2MMP13
SCHEMBL6942694 0.78 ADAM17 (0.51) MMP1MMP8ADAM17MMP2MMP13
SCHEMBL6945579 0.78 ADAM17 (0.62) MMP1MMP8ADAM17MMP2MMP13
SCHEMBL6942207 0.74 ADAM17 (0.51) MMP1MMP8ADAM17MMP2MMP13
SCHEMBL6945324 0.74 ADAM17 (0.37) ADAM17
SCHEMBL8098302 0.73 ADAM17 (0.66) MMP1MMP8ADAM17MMP2MMP13

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0993442-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 EP disclosed
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