SCHEMBL15030908

SCHEMBL15030908

COC(=O)Oc1ccc(CCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.44
MTNR1B P49286 3/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
PLAAT3 P53816 1/20 0.42
PLAAT5 Q96KN8 1/20 0.42
PLAAT2 Q9NWW9 1/20 0.42
PLAAT4 Q9UL19 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL11949446 0.94 MTNR1A (0.47) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL13898217 0.92 MTNR1A (0.44) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL13612909 0.90 CA12 (0.50) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL12364504 0.89 PTGS1 (0.50) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL11947793 0.88 MTNR1A (0.48) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL15030906 0.88 MTNR1A (0.35) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL13983786 0.86 MTNR1A (0.59) MTNR1AMTNR1BALDH1A1
SCHEMBL15133389 0.86 BCHE (0.45) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL15490483 0.84 PTGS1 (0.52) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL19229230 0.83 PTGS1 (0.53) MTNR1AMTNR1BCA12CA1CA2

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-8465892-B2 Chemically resistive and lubricated overcoat XEROX CORPORATION (US) 2013-06-18 US disclosed