SCHEMBL6922863

SCHEMBL6922863

CC1(C)OB(c2ccc3cc(OC4CCCCO4)ccc3c2)OC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.40
LPL P06858 5/20 0.39
LIPG Q9Y5X9 5/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HIF1A Q16665 3/20 0.38
DHFR P00374 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
TNK2 Q07912 2/20 0.35
SNCA P37840 1/20 0.34
KDM4C Q9H3R0 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32

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
SCHEMBL8265696 0.89 CA1 (0.43) HSD11B1LPLLIPGHIF1ACA1
SCHEMBL1118822 0.86 HSD11B1 (0.43) HSD11B1LPLLIPGNPC1RAB9A
SCHEMBL30542268 0.86 DHFR (0.37) HSD11B1LPLLIPGNPC1RAB9A
SCHEMBL25217625 0.86 DHFR (0.37) HSD11B1LPLLIPGNPC1RAB9A
SCHEMBL14184913 0.83 HSD11B1 (0.37) HSD11B1LPLLIPGNPC1RAB9A
SCHEMBL14184918 0.82 CA1 (0.39) HSD11B1LPLLIPGHIF1ACA1
SCHEMBL17962846 0.81 LPL (0.43) LPLLIPGHIF1ACA1CA2
SCHEMBL21117326 0.81 HIF1A (0.34) HSD11B1LPLLIPGHIF1ACA1
SCHEMBL6067858 0.81 HSD11B1 (0.40) HSD11B1NPC1RAB9AHIF1ADHFR
SCHEMBL17962779 0.80 LPL (0.46) LPLLIPGHIF1ACA1CA2

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
WO-2004024060-A2 METALLOPROTEINASE INHIBITORS AND INTERMEDIATES FOR PREPARATION THEREOF ASTRAZENECA AB (SE) 2004-03-25 WO disclosed