SCHEMBL7103553

SCHEMBL7103553

CC(C)C[C@@H](C(=O)NN)[C@@H](C(=O)NO)C(/C=C/c1ccccc1)(CC(C)C)S(=O)(=O)CCCCN

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 7/20 0.42
MMP8 P22894 3/20 0.33
MMP2 P08253 8/20 0.33
MMP3 P08254 7/20 0.33
MMP7 P09237 5/20 0.33
LTA4H P09960 1/20 0.32
ANPEP P15144 1/20 0.32
MMP1 P03956 7/20 0.32
MMP9 P14780 3/20 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
SCHEMBL7104651 0.98 ADAM17 (0.42) ADAM17MMP8MMP2MMP3MMP7
SCHEMBL7104723 0.95 ADAM17 (0.44) ADAM17MMP8MMP2MMP3MMP7
SCHEMBL7104781 0.92 ADAM17 (0.37) ADAM17MMP2MMP1MMP9MMP13
SCHEMBL7103547 0.91 ADAM17 (0.37) ADAM17MMP2MMP1MMP9MMP13
SCHEMBL7100102 0.89 ADAM17 (0.41) ADAM17MMP8MMP2MMP3MMP7
SCHEMBL7100580 0.88 CTSB (0.35) ADAM17MMP8MMP2MMP3MMP7
SCHEMBL7100344 0.88 ADAM17 (0.38) ADAM17MMP8MMP2MMP1MMP9
SCHEMBL6942610 0.87 ADAM17 (0.46) ADAM17MMP8MMP2MMP3MMP7
SCHEMBL4481740 0.87 ADAM17 (0.46) ADAM17MMP8MMP2MMP3MMP7
SCHEMBL6942915 0.84 ADAM17 (0.41) ADAM17MMP8MMP2MMP3MMP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1133471-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-09-17 EP claimed
EP-1133471-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-09-19 EP claimed
US-6265446-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES HOFFMANN-LA ROCHE INC.. 2001-07-24 US claimed
WO-2000032570-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-08 WO claimed
EP-1133471-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-09-17 EP disclosed
EP-1133471-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-09-19 EP disclosed
US-6265446-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES HOFFMANN-LA ROCHE INC.. 2001-07-24 US disclosed
WO-2000032570-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-08 WO disclosed