SCHEMBL6200587

SCHEMBL6200587

CC(C)(C)OC(=O)NCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.62
BCL9 O00512 1/20 0.54
CTNNB1 P35222 1/20 0.54
CA12 O43570 4/20 0.49
CA1 P00915 4/20 0.49
CA2 P00918 4/20 0.49
CA9 Q16790 4/20 0.49
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
HIF1A Q16665 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
BRD4 O60885 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45

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
SCHEMBL9228347 0.91 BCL9 (0.59) MGLLBCL9CTNNB1CA12CA1
SCHEMBL18359784 0.91 MGLL (0.75) MGLLBCL9CTNNB1CA12CA1
SCHEMBL1389312 0.91 MGLL (0.75) MGLLBCL9CTNNB1CA12CA1
SCHEMBL5362791 0.89 MGLL (0.59) MGLLBCL9CTNNB1CA12CA1
SCHEMBL21834877 0.87 MGLL (0.53) MGLLBCL9CTNNB1CA12CA1
SCHEMBL14907653 0.87 MGLL (0.72) MGLLBCL9CTNNB1CA12CA1
SCHEMBL13041080 0.85 MGLL (0.52) MGLLBCL9CTNNB1CA12CA1
SCHEMBL12077169 0.84 MGLL (0.60) MGLLBCL9CTNNB1CA12CA1
SCHEMBL7068808 0.84 BCL9 (0.56) MGLLBCL9CTNNB1MAPTKDM4E
SCHEMBL14907652 0.84 MGLL (0.67) MGLLBCL9CTNNB1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165532-B1 ANTIBACTERIAL AGENTS VERNALIS OXFORD LTD (GB) 2005-01-12 EP disclosed
US-6503897-B1 N-Formylhydroxylamine derivatives; veterinary medicine; grampositive and gramnegative bacteria BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2003-01-07 US disclosed
US-5552540-A NONRADIOACTIVE LABELS HOWARD FLOREY INSTITUTE OF EXPERIMENTAL PHYSIOLOGY AND MEDICINE (AU) 1996-09-03 US disclosed
EP-0366685-B1 NUCLEOSIDE DERIVATIVES FLOREY HOWARD INST (AU) 1994-10-19 EP disclosed
EP-0366685-A4 NUCLEOSIDE DERIVATIVES 1991-03-20 EP disclosed
EP-0366685-A1 NUCLEOSIDE DERIVATIVES. FLOREY HOWARD INST (AU) 1990-05-09 EP disclosed
WO-1988010264-A1 NUCLEOSIDE DERIVATIVES HOWARD FLOREY INSTITUTE OF EXPERIMENTAL PHYSIOLOGY (AU) 1988-12-29 WO disclosed