SCHEMBL14729453

SCHEMBL14729453

CC(C)(C)OC(=O)CCCCCNC(N)=S

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.52
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
CA1 P00915 6/20 0.44
CA2 P00918 6/20 0.44
CA12 O43570 5/20 0.44
CA9 Q16790 5/20 0.44
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
TPSAB1 Q15661 1/20 0.36
TPSD1 Q9BZJ3 1/20 0.36
TPSG1 Q9NRR2 1/20 0.36
ADRA1A P35348 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL3453208 0.86 MLYCD (0.39) EPHX2MAOAMAOBTDP1CA1
SCHEMBL5124510 0.83 TDP1 (0.67) MAOAMAOBTDP1CA1CA2
SCHEMBL381238 0.83 EPHX2 (0.50) EPHX2CA2CA12CA9
SCHEMBL806270 0.82 MEN1 (0.57) EPHX2MAOAMAOBTDP1CA1
SCHEMBL5389760 0.81 MAOA (0.64) MAOAMAOBTDP1CA1CA2
SCHEMBL25942884 0.81 TDP1 (0.69) EPHX2MAOAMAOBTDP1CA1
SCHEMBL16349624 0.80 TDP1 (0.66) EPHX2MAOAMAOBTDP1CA1
SCHEMBL855343 0.80 EPHX2 (0.50) EPHX2MAOAMAOBTDP1CA1
SCHEMBL23601628 0.79 EPHX2 (0.44) EPHX2MAOAMAOBTDP1MEN1
SCHEMBL17760173 0.79 EPHX2 (0.44) EPHX2MAOAMAOBTDP1MEN1

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
WO-2013028664-A1 PSMA IMAGING AGENTS SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-02-28 WO disclosed