SCHEMBL3617075

SCHEMBL3617075

CC(C)(C)OC(=O)NCCN(CCC(=O)O)CCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
CA12 O43570 4/20 0.41
CA1 P00915 4/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
EPHX1 P07099 1/20 0.41
MMP9 P14780 2/20 0.39
IDO1 P14902 1/20 0.39
DRD2 P14416 2/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL29262491 0.92 MEN1 (0.50) MEN1GAAKMT2ATDP1MAOA
SCHEMBL12482641 0.91 TDP1 (0.56) MEN1GAAKMT2ATDP1MAOA
SCHEMBL5019130 0.91 MEN1 (0.49) MEN1GAAKMT2ATDP1MAOA
SCHEMBL26049440 0.90 TDP1 (0.58) MEN1GAAKMT2ATDP1MAOA
SCHEMBL18429454 0.89 GAA (0.44) MEN1GAAKMT2ATDP1MAOA
SCHEMBL15604461 0.87 TDP1 (0.46) MEN1GAAKMT2ATDP1MAOA
SCHEMBL13399396 0.86 TDP1 (0.51) MEN1GAAKMT2ATDP1MAOA
SCHEMBL29239019 0.86 MEN1 (0.50) MEN1GAAKMT2ATDP1MAOA
SCHEMBL3167773 0.86 MEN1 (0.50) MEN1GAAKMT2ATDP1MAOA
SCHEMBL24897149 0.85 TDP1 (0.57) MEN1GAAKMT2ATDP1MAOA

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-20100015058-A1 RADIOLABELED BBN-RGD HETERODIMERS FOR CANCER TARGETING STANFORD UNIVERSITY (US) 2010-01-21 US disclosed