SCHEMBL7100104

SCHEMBL7100104

CC(C)C[C@@H](C(=O)NN)[C@@H](C(=O)NO)C(CCc1ccccc1)(CC(C)C)S(=O)(=O)c1ccccc1N

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.37
MMP8 P22894 1/20 0.37
FCER2 P06734 2/20 0.36
ADAM17 P78536 4/20 0.35
TSHR P16473 1/20 0.35
MMP1 P03956 2/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35

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
SCHEMBL7102324 0.92 MMP8 (0.34) ANPEPMMP8FCER2ADAM17MMP1
SCHEMBL7099916 0.82 MMP8 (0.39) ANPEPMMP8FCER2ADAM17TSHR
SCHEMBL7100614 0.80 MMP8 (0.37) ANPEPMMP8FCER2ADAM17TSHR
SCHEMBL7101371 0.80 MMP8 (0.35) ANPEPMMP8FCER2TSHRMMP1
SCHEMBL7100635 0.79 GAA (0.37) ANPEPMMP8FCER2ADAM17TSHR
SCHEMBL6942520 0.77 ADAM17 (0.41) MMP8ADAM17MMP1MMP2MMP3
SCHEMBL6982649 0.76 ANPEP (0.40) ANPEPMMP8FCER2ADAM17TSHR
SCHEMBL6941949 0.73 ADAM17 (0.37) ANPEPFCER2ADAM17MMP1MMP2
SCHEMBL6945575 0.72 MMP2 (0.39) MMP8ADAM17MMP1MMP2MMP3
SCHEMBL6942381 0.71 ADAM17 (0.40) ANPEPFCER2ADAM17MMP1MMP2

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