SCHEMBL6945908

SCHEMBL6945908

CC(C)C[C@@H](C(=O)NN)[C@H](C(=O)O)C(/C=C/c1ccccc1)(CC(C)C)C(=O)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 5/20 0.35
CYP2C19 P33261 1/20 0.34
LTA4H P09960 1/20 0.34
ANPEP P15144 1/20 0.34
MMP3 P08254 8/20 0.32
MMP2 P08253 7/20 0.32
MMP7 P09237 5/20 0.32
MMP1 P03956 7/20 0.32
MMP8 P22894 2/20 0.32
MMP9 P14780 2/20 0.32
MMP14 P50281 2/20 0.32
MMP12 P39900 1/20 0.32
MMP13 P45452 1/20 0.32
FCER2 P06734 1/20 0.32
HTT P42858 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GRIK1 P39086 2/20 0.31
GRIK2 Q13002 2/20 0.31
LNPEP Q9UIQ6 1/20 0.31

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
SCHEMBL6943938 0.93 ADAM17 (0.40) ADAM17CYP2C19LTA4HANPEPMMP3
SCHEMBL6939979 0.89 ADAM17 (0.34) ADAM17CYP2C19LTA4HANPEPMMP3
SCHEMBL6944661 0.88 ADAM17 (0.34) ADAM17CYP2C19LTA4HANPEPMMP2
SCHEMBL6982662 0.88 ADAM17 (0.34) ADAM17CYP2C19LTA4HANPEPMMP3
SCHEMBL6981660 0.86 ADAM17 (0.39) ADAM17LTA4HANPEPMMP3MMP2
SCHEMBL6983453 0.86 ADAM17 (0.39) ADAM17LTA4HANPEPMMP3MMP2
SCHEMBL6981614 0.86 ADAM17 (0.39) ADAM17CYP2C19LTA4HANPEPMMP3
Hydrochloric Acid SCHEMBL6986445 0.85 ADAM17 (0.39) ADAM17CYP2C19LTA4HANPEPMMP3
Hydrochloric Acid SCHEMBL6986403 0.84 ADAM17 (0.38) ADAM17LTA4HANPEPMMP3MMP2
Hydrochloric Acid SCHEMBL6984713 0.84 ADAM17 (0.38) ADAM17LTA4HANPEPMMP3MMP2

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