SCHEMBL18708175

SCHEMBL18708175

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.39
▸ RIN1 Q13671 1/20 0.39
▸ P2RY6 Q15077 4/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ P2RY14 Q15391 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ NT5E P21589 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CYP2C9 P11712 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CNR2 P34972 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33

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
SCHEMBL18503738 1.00 ABL1 (0.39) ABL1RIN1P2RY6ALDH1A1MAPT
SCHEMBL26621808 0.96 ABL1 (0.38) ABL1RIN1P2RY6ALDH1A1MAPT
SCHEMBL18513393 0.93 ABL1 (0.41) ABL1RIN1P2RY6ALDH1A1MAPT
SCHEMBL18503737 0.88 ABL1 (0.36) ABL1RIN1P2RY6ALDH1A1MAPT
SCHEMBL18708170 0.88 ABL1 (0.36) ABL1RIN1P2RY6ALDH1A1MAPT
SCHEMBL26621810 0.84 ABL1 (0.35) ABL1RIN1P2RY6ALDH1A1MAPT
SCHEMBL26735234 0.82 ABL1 (0.39) ABL1RIN1P2RY6ALDH1A1MAPT
SCHEMBL26735123 0.82 ABL1 (0.39) ABL1RIN1P2RY6ALDH1A1MAPT
SCHEMBL14929228 0.82 ABL1 (0.40) ABL1RIN1P2RY6ALDH1A1MAPT
SCHEMBL18503734 0.81 ABL1 (0.32) ABL1RIN1

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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