SCHEMBL18429613

SCHEMBL18429613

CC(C)CC(C)(C)OC(=O)NC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.36
AAK1 Q2M2I8 15/20 0.35
POLB P06746 1/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
PIK3CD O00329 1/20 0.33
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30

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
SCHEMBL20273063 0.80 CA1 (0.41) MMP8CA1CA2CA7CTSL
SCHEMBL28992920 0.79 AAK1 (0.33) MMP8AAK1POLBCA1CA2
SCHEMBL22001990 0.79 GAA (0.33) POLB
SCHEMBL27433822 0.78 EPHX1 (0.33) PIK3CD
SCHEMBL7819855 0.77 ALDH1A1 (0.35) POLBCA1CA7CTSK
SCHEMBL609954 0.76 MMP8 (0.37) MMP8CA1CA2CA7PIK3CD
SCHEMBL14586294 0.75 TDP1 (0.32)
SCHEMBL18680190 0.75 POLB (0.32) POLB
SCHEMBL27623170 0.75 KDM4E (0.31)
SCHEMBL12869155 0.74 GAA (0.43) MMP8AAK1

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-9556167-B2 TLR-agonist-conjugated antibody recruiting molecules (TLR-ARMs) YALE UNIVERSITY (US) 2017-01-31 US disclosed