SCHEMBL7719979

SCHEMBL7719979

CC(C)(C)OC(=O)NCCCNC(CCCN)(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
CA1 P00915 11/20 0.41
CA2 P00918 11/20 0.41
CA12 O43570 7/20 0.41
CA9 Q16790 7/20 0.41
STK17B O94768 1/20 0.38
STK17A Q9UEE5 1/20 0.38
EPHX1 P07099 1/20 0.35
HTT P42858 1/20 0.35
MALT1 Q9UDY8 1/20 0.34
FPR3 P25089 1/20 0.34
FPR2 P25090 1/20 0.34

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
SCHEMBL14485 0.80 TDP1 (0.65) TDP1MAOAMAOBMEN1GAA
SCHEMBL181700 0.78 TDP1 (0.68) TDP1MAOAMAOBMEN1GAA
Ammonia Solution, Strong SCHEMBL18526745 0.78 TDP1 (0.62) TDP1MAOAMAOBMEN1GAA
Hydrochloric Acid SCHEMBL5973450 0.78 TDP1 (0.62) TDP1MAOAMAOBMEN1GAA
SCHEMBL30918591 0.78 TDP1 (0.56) TDP1MAOAMAOBMEN1GAA
SCHEMBL8517870 0.78 MEN1 (0.33) MEN1KMT2A
SCHEMBL12502050 0.77 MAOA (0.62) TDP1MAOAMAOBMEN1GAA
SCHEMBL29778251 0.77 MAOA (0.62) TDP1MAOAMAOBMEN1GAA
SCHEMBL220281 0.77 TDP1 (0.71) TDP1MAOAMAOBMEN1GAA
SCHEMBL989107 0.77 TDP1 (0.71) TDP1MAOAMAOBMEN1GAA

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
EP-1187807-A1 BIPOLAR LIPIDS AND THEIR USE FOR THE DELIVERY OF BIOACTIVE SUBSTANCES Celltech R&D Limited (GB) 2002-03-20 EP disclosed
WO-2000064858-A1 BIPOLAR LIPIDS AND THEIR USE FOR THE DELIVERY OF BIOACTIVE SUBSTANCES CELLTECH R&D LIMITED (GB) 2000-11-02 WO disclosed