SCHEMBL7713907

SCHEMBL7713907

C=CC(=O)NCCCCCCNC(=O)OC(C)(C)C

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.65
ZDHHC20 Q5W0Z9 1/20 0.59
ZDHHC2 Q9UIJ5 1/20 0.59
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56
GAA P10253 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CA12 O43570 6/20 0.52
CA1 P00915 6/20 0.52
CA2 P00918 6/20 0.52
CA9 Q16790 6/20 0.52
TGM2 P21980 2/20 0.50
CYP3A4 P08684 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
EPHX1 P07099 1/20 0.41

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
SCHEMBL887546 1.00 TDP1 (0.65) TDP1ZDHHC20ZDHHC2MAOAMAOB
SCHEMBL31672311 0.98 TDP1 (0.62) TDP1ZDHHC20ZDHHC2MAOAMAOB
SCHEMBL15575825 0.95 TDP1 (0.57) TDP1ZDHHC20ZDHHC2MAOAMAOB
SCHEMBL12318662 0.91 TDP1 (0.51) TDP1ZDHHC20ZDHHC2MAOAMAOB
SCHEMBL721129 0.91 TDP1 (0.55) TDP1ZDHHC20ZDHHC2MAOAMAOB
SCHEMBL2025761 0.88 TDP1 (0.50) TDP1ZDHHC20ZDHHC2MAOAMAOB
SCHEMBL20841213 0.86 TDP1 (0.49) TDP1ZDHHC20ZDHHC2MAOAMAOB
SCHEMBL134329 0.86 TDP1 (0.85) TDP1MAOAMAOBGAAMEN1
SCHEMBL3025184 0.86 TDP1 (0.85) TDP1MAOAMAOBGAAMEN1
SCHEMBL136815 0.86 TDP1 (0.85) TDP1MAOAMAOBGAAMEN1

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
US-6348322-B1 DETECTION OF BINDING COMPOUNDS TO PROBES; PROVIDE TEST COMPOUND, INCUBATE WITH SUBSTRATE, ILLUMINATE, DETECT TRANSFER OF ENERGY, THE TRANSFER OF ENERGY INDICATES BINDING ACTIVITY DUKE UNIVERSITY 2002-02-19 US disclosed