SCHEMBL4281077

SCHEMBL4281077

O=C(O)N(CCO)CCF

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL20488701 0.89 EYA2 (0.30)
SCHEMBL2493116 0.87 CA12 (0.41) CA12CA1CA2CA9KDM4E
SCHEMBL19817170 0.86 CA12 (0.31) CA12CA1CA2CA9KDM4E
SCHEMBL621722 0.84 CA12 (0.39) CA12CA1CA2CA9KDM4E
SCHEMBL3510313 0.80 ALDH1A1 (0.33) CA12CA1CA2CA9KDM4E
SCHEMBL6883197 0.77 CA12 (0.35) CA12CA1CA2CA9KDM4E
SCHEMBL6247927 0.77 CAMK2A (0.38) CA12CA1CA2CA9KDM4E
SCHEMBL9065819 0.76 LMNA (0.44) CA12CA1CA2CA9ALOX15
SCHEMBL11512646 0.76
SCHEMBL77048 0.75 CA12 (0.46) CA12CA1CA2CA9KDM4E

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-2009131246-A1 SORDARIN DERIVATIVES FOR PREVENTING OR TREATING INFECTIOUS DISEASES CAUSED BY PATHOGENIC MICROORGANISMS ASTELLAS PHARMA INC. (JP) 2009-10-29 WO disclosed