SCHEMBL4773060

SCHEMBL4773060

CC(C)(C)OC(=O)NCCCC=CCO

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.60
MEN1 O00255 1/20 0.53
GAA P10253 1/20 0.53
KMT2A Q03164 1/20 0.53
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
CA1 P00915 7/20 0.47
CA2 P00918 7/20 0.47
CA12 O43570 6/20 0.47
CA9 Q16790 6/20 0.47
EPHX1 P07099 1/20 0.40
HTT P42858 1/20 0.40
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39

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
SCHEMBL23795927 1.00 TDP1 (0.60) TDP1MEN1GAAKMT2AMAOA
SCHEMBL590360 0.90 TDP1 (0.54) TDP1MEN1GAAKMT2AMAOA
SCHEMBL590359 0.90 TDP1 (0.54) TDP1MEN1GAAKMT2AMAOA
SCHEMBL27716950 0.85 TDP1 (0.62) TDP1MEN1GAAKMT2AMAOA
SCHEMBL15505335 0.83 TDP1 (0.65) TDP1MEN1GAAKMT2AMAOA
SCHEMBL5680637 0.82 TDP1 (0.62) TDP1MEN1GAAKMT2AMAOA
SCHEMBL13306408 0.82 TDP1 (0.56) TDP1MEN1GAAKMT2AMAOA
SCHEMBL5199651 0.82 MEN1 (0.55) TDP1MEN1GAAKMT2AMAOA
SCHEMBL13504656 0.82 TDP1 (0.54) TDP1MEN1GAAKMT2AMAOA
SCHEMBL8892710 0.82 MEN1 (0.55) TDP1MEN1GAAKMT2AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1996579-A2 ANTIBIOTIC COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2008-12-03 EP disclosed
WO-2007105154-A2 ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2007-09-20 WO disclosed
EP-1799676-A2 NEW BICYCLIC ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2007-06-27 EP disclosed
WO-2006032466-A2 NEW BICYCLIC ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2006-03-30 WO disclosed