SCHEMBL7105151

SCHEMBL7105151

CC(C)C[C@@H](C(=O)NN(CC(C)C)S(=O)(=O)c1ccccc1N)[C@H](CCCc1ccccc1)C(=O)NO

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.50
MMP1 P03956 6/20 0.46
MMP13 P45452 4/20 0.46
MMP8 P22894 4/20 0.41
FCER2 P06734 4/20 0.39
MMP9 P14780 6/20 0.39
MMP3 P08254 5/20 0.39
MMP2 P08253 5/20 0.39
TSHR P16473 1/20 0.38
MMP14 P50281 1/20 0.37

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
SCHEMBL7102327 0.92 ADAM17 (0.44) ADAM17MMP1MMP13MMP8FCER2
SCHEMBL7099919 0.83 ADAM17 (0.51) ADAM17MMP1MMP13MMP8FCER2
SCHEMBL7100619 0.80 ADAM17 (0.50) ADAM17MMP1MMP13MMP8FCER2
SCHEMBL7101372 0.79 ADAM17 (0.43) ADAM17MMP1MMP13MMP8FCER2
SCHEMBL7100638 0.79 ADAM17 (0.49) ADAM17MMP1MMP13MMP8FCER2
SCHEMBL6982654 0.78 MMP1 (0.52) ADAM17MMP1MMP13MMP8FCER2
SCHEMBL7076170 0.76 MMP1 (0.49) ADAM17MMP1MMP13MMP8FCER2
SCHEMBL6942522 0.76 ADAM17 (0.55) ADAM17MMP1MMP13MMP8MMP9
SCHEMBL7855580 0.75 MMP1 (0.62) MMP1MMP13MMP8FCER2MMP3
SCHEMBL6941577 0.74 MMP1 (0.50) ADAM17MMP1MMP13MMP8FCER2

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
US-6265446-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES HOFFMANN-LA ROCHE INC.. 2001-07-24 US claimed
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