SCHEMBL7960598

SCHEMBL7960598

CC(C)C[C@@H](C(=O)NN1C(=O)C(CO)N(Cc2ccccc2)C1=O)[C@H](CCCc1ccccc1)C(=O)NO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.46
MMP1 P03956 8/20 0.44
MMP13 P45452 3/20 0.44
HDAC6 Q9UBN7 1/20 0.42
MMP8 P22894 3/20 0.41
MMP2 P08253 8/20 0.40
MMP3 P08254 7/20 0.40
MMP7 P09237 7/20 0.40
ADAM17 P78536 2/20 0.39
MMP9 P14780 2/20 0.39
MMP14 P50281 2/20 0.39
MMP12 P39900 1/20 0.39
MMP10 P09238 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL7960597 1.00 APP (0.46) APPMMP1MMP13HDAC6MMP8
SCHEMBL7960594 1.00 APP (0.46) APPMMP1MMP13HDAC6MMP8
SCHEMBL7839297 0.82 MMP1 (0.46) APPMMP1MMP13MMP8MMP2
SCHEMBL7839305 0.82 MMP1 (0.46) APPMMP1MMP13MMP8MMP2
SCHEMBL7839302 0.82 MMP1 (0.46) APPMMP1MMP13MMP8MMP2
SCHEMBL7840861 0.81 MMP1 (0.47) APPMMP1MMP13MMP8MMP2
SCHEMBL7846497 0.81 MMP1 (0.47) APPMMP1MMP13MMP8MMP2
SCHEMBL7946730 0.80 APP (0.49) APPMMP1MMP13HDAC6MMP8
SCHEMBL7946731 0.80 APP (0.49) APPMMP1MMP13HDAC6MMP8
SCHEMBL7840537 0.80 MMP1 (0.46) APPMMP1MMP13MMP8MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6281363-B1 ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS; AUTOIMMUNE DISORDERS HOFFMANN-LA ROCHE INC. 2001-08-28 US disclosed