SCHEMBL3792136

SCHEMBL3792136

CC1(C)OB(c2ccc(-c3ccc4[nH]ccc4c3)cc2)OC1(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 9/20 0.60
LPL P06858 8/20 0.60
NPC1 O15118 1/20 0.53
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
PTGS2 P35354 1/20 0.45
CYP17A1 P05093 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
BRD4 O60885 1/20 0.43
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
CHRNA7 P36544 2/20 0.40
CHRNA10 Q9GZZ6 2/20 0.40
CHRNA9 Q9UGM1 2/20 0.40
HDAC2 Q92769 1/20 0.40
PIP4K2A P48426 1/20 0.40
PIP4K2B P78356 1/20 0.40

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
SCHEMBL30052604 0.88 LPL (0.43) LIPGLPLNPC1
SCHEMBL9918 0.88 LPL (0.43) LIPGLPLNPC1
SCHEMBL13718 0.78 LPL (0.46) LIPGLPLBRD4
SCHEMBL29513455 0.78 LPL (0.46) LIPGLPLBRD4
SCHEMBL24608995 0.77 LIPG (0.83) LIPGLPLCA12CA1CA2
SCHEMBL2707320 0.77 LIPG (0.83) LIPGLPLCA12CA1CA2
SCHEMBL19669341 0.76 LPL (0.38) LIPGLPL
SCHEMBL15600537 0.75 LIPG (1.00) LIPGLPLCA1CA2CA9
SCHEMBL440456 0.75 LIPG (1.00) LIPGLPLCA1CA2CA9
SCHEMBL15197479 0.75 LIPG (1.00) LIPGLPLCA1CA2CA9

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
WO-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 WO disclosed
WO-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 WO disclosed