SCHEMBL7100614

SCHEMBL7100614

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.37
ANPEP P15144 1/20 0.35
ADAM17 P78536 4/20 0.35
MMP1 P03956 5/20 0.34
MMP2 P08253 3/20 0.34
MMP9 P14780 2/20 0.34
MMP13 P45452 2/20 0.34
FCER2 P06734 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
TSHR P16473 1/20 0.34
MMP3 P08254 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
SCHEMBL7100635 0.92 GAA (0.37) MMP8ANPEPADAM17MMP1MMP2
SCHEMBL7099916 0.91 MMP8 (0.39) MMP8ANPEPADAM17MMP1MMP2
SCHEMBL7100104 0.80 ANPEP (0.37) MMP8ANPEPADAM17MMP1MMP2
SCHEMBL7101371 0.76 MMP8 (0.35) MMP8ANPEPMMP1MMP2MMP9
SCHEMBL6942520 0.75 ADAM17 (0.41) MMP8ADAM17MMP1MMP2MMP9
SCHEMBL7106109 0.74 CTSB (0.35) ADAM17CA1
SCHEMBL7104740 0.74 ADAM17 (0.34) MMP8ADAM17MMP1MMP2MMP9
SCHEMBL7102324 0.74 MMP8 (0.34) MMP8ANPEPADAM17MMP1MMP2
SCHEMBL7104768 0.74 ADAM17 (0.37) ADAM17MMP1
SCHEMBL6982649 0.74 ANPEP (0.40) MMP8ANPEPADAM17MMP1MMP2

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-1133471-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-09-17 EP disclosed
US-6265446-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES HOFFMANN-LA ROCHE INC.. 2001-07-24 US disclosed