SCHEMBL7815501

SCHEMBL7815501

CC(C)C[C@@H](C(=O)NN)[C@H](C(=O)NO)C(/C=C/c1ccccc1)(CCC#N)C(=O)[C@@H](C)N

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 5/20 0.38
MMP1 P03956 7/20 0.35
CTSC P53634 1/20 0.35
LTA4H P09960 1/20 0.34
ANPEP P15144 1/20 0.34
MMP2 P08253 7/20 0.33
MMP3 P08254 7/20 0.33
MMP7 P09237 5/20 0.33
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

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
SCHEMBL6980713 0.91 ADAM17 (0.36) ADAM17MMP1
SCHEMBL6981614 0.87 ADAM17 (0.39) ADAM17MMP1LTA4HANPEPMMP2
Hydrochloric Acid SCHEMBL6986445 0.86 ADAM17 (0.39) ADAM17MMP1LTA4HANPEPMMP2
SCHEMBL7819174 0.86 ADAM17 (0.36) ADAM17MMP1LTA4HANPEPMMP2
SCHEMBL7815151 0.84 ADAM17 (0.38) ADAM17MMP1LTA4HANPEPMMP2
SCHEMBL6982341 0.84 CTSC (0.30) CTSC
SCHEMBL6943938 0.80 ADAM17 (0.40) ADAM17MMP1LTA4HANPEPMMP2
SCHEMBL6980619 0.80 ADAM17 (0.36) ADAM17MMP1MMP13
Hydrochloric Acid SCHEMBL6986403 0.80 ADAM17 (0.38) ADAM17MMP1LTA4HANPEPMMP2
Hydrochloric Acid SCHEMBL6984713 0.80 ADAM17 (0.38) ADAM17MMP1LTA4HANPEPMMP2

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-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