SCHEMBL7104655

SCHEMBL7104655

CC(C)C[C@@H](C(=O)NN(CC(C)C)S(=O)(=O)CCCN)[C@H](CC=Cc1ccccc1)C(=O)NO

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 3/20 0.75
MMP2 P08253 12/20 0.38
MMP3 P08254 11/20 0.38
MMP7 P09237 10/20 0.38
MMP1 P03956 10/20 0.37
MMP8 P22894 2/20 0.37
MMP9 P14780 2/20 0.37
MMP12 P39900 1/20 0.37
MMP13 P45452 1/20 0.37
MMP14 P50281 1/20 0.37
FCER2 P06734 3/20 0.36
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33

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
SCHEMBL7103556 0.97 ADAM17 (0.74) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL7104724 0.95 ADAM17 (0.78) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL7103548 0.92 ADAM17 (0.64) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL7103638 0.90 ADAM17 (0.74) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL7104784 0.90 ADAM17 (0.63) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL7100583 0.89 ADAM17 (0.60) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL7100103 0.89 ADAM17 (0.71) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL7100347 0.87 ADAM17 (0.66) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6813847 0.86 ADAM17 (1.00) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL4481744 0.86 ADAM17 (1.00) ADAM17MMP2MMP3MMP7MMP1

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 4 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 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