SCHEMBL13612909

SCHEMBL13612909

COC(=O)Oc1ccc(CCC[Si](C)(C)O[Si](C)(C)CCCc2ccc(OC)c(OC)c2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
ALDH1A1 P00352 3/20 0.49
PLAAT3 P53816 1/20 0.48
PLAAT5 Q96KN8 1/20 0.48
PLAAT2 Q9NWW9 1/20 0.48
PLAAT4 Q9UL19 1/20 0.48
MTNR1A P48039 2/20 0.48
MTNR1B P49286 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL11949446 0.94 MTNR1A (0.47) CA12CA1CA2CA9ALDH1A1
SCHEMBL15133389 0.93 BCHE (0.45) CA12CA1CA2CA9ALDH1A1
SCHEMBL13983786 0.93 MTNR1A (0.59) ALDH1A1MTNR1AMTNR1B
SCHEMBL11947793 0.92 MTNR1A (0.48) CA12CA1CA2CA9ALDH1A1
SCHEMBL15030908 0.90 MTNR1A (0.44) CA12CA1CA2CA9ALDH1A1
SCHEMBL13898217 0.89 MTNR1A (0.44) CA12CA1CA2CA9ALDH1A1
SCHEMBL13828939 0.88 PTGS1 (0.54) CA12CA1CA2CA9ALDH1A1
SCHEMBL13133226 0.87 PTGS1 (0.56) CA12CA1CA2CA9ALDH1A1
SCHEMBL12271110 0.86 ATM (0.56) CA12CA1CA2CA9MAPT
SCHEMBL15490483 0.84 PTGS1 (0.52) CA12CA1CA2CA9ALDH1A1

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-7611811-B2 Imaging member XEROX CORPORATION (US) 2009-11-03 US disclosed