SCHEMBL18708170

SCHEMBL18708170

CC[C@@]12O[C@@H](n3cc(C)c(NC(=O)c4ccccc4)nc3=O)[C@@H](OC13CC3)C2O[Si](CC)(CC)CC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.36
▸ RIN1 Q13671 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ HTT P42858 2/20 0.35
▸ ALDH1A1 P00352 5/20 0.34
▸ P2RY6 Q15077 4/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ P2RY14 Q15391 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NT5E P21589 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 4/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ GAA P10253 1/20 0.32

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
SCHEMBL18503737 1.00 ABL1 (0.36) ABL1RIN1POLBHTTALDH1A1
SCHEMBL26621810 0.97 ABL1 (0.35) ABL1RIN1POLBHTTALDH1A1
SCHEMBL18708175 0.88 ABL1 (0.39) ABL1RIN1POLBHTTALDH1A1
SCHEMBL18503738 0.88 ABL1 (0.39) ABL1RIN1POLBHTTALDH1A1
SCHEMBL26621808 0.84 ABL1 (0.38) ABL1RIN1POLBHTTALDH1A1
SCHEMBL18708173 0.84 ABL1 (0.32) ABL1RIN1
SCHEMBL18503734 0.84 ABL1 (0.32) ABL1RIN1
SCHEMBL18513393 0.82 ABL1 (0.41) ABL1RIN1POLBHTTALDH1A1
SCHEMBL18503730 0.79 — —
SCHEMBL26621807 0.78 — —

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-9611479-B2 Crosslinked nucleoside and nucleotide OSAKA UNIVERSITY (JP) 2017-04-04 — — US disclosed
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