SCHEMBL13646756

SCHEMBL13646756

COC1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@H](O)[C@H](C)O2)[C@H](C)O1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.36
LMNA P02545 1/20 0.36
STAT3 P40763 7/20 0.35
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ATP1A1 P05023 1/20 0.32
ATP1B1 P05026 1/20 0.32
ATP1A3 P13637 1/20 0.32
ATP1B2 P14415 1/20 0.32
ATP1A2 P50993 1/20 0.32
ATP1B3 P54709 1/20 0.32
FXYD2 P54710 1/20 0.32
ATP1A4 Q13733 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
SCHEMBL7603079 1.00 CYP3A4 (0.36) CYP3A4LMNASTAT3TP53SMN1; SMN2
SCHEMBL17145964 0.90 CYP3A4 (0.39) CYP3A4LMNASTAT3TP53SMN1; SMN2
SCHEMBL18390942 0.90 CYP3A4 (0.35) CYP3A4LMNASTAT3TP53SMN1; SMN2
SCHEMBL14819927 0.90 CYP3A4 (0.39) CYP3A4LMNASTAT3TP53SMN1; SMN2
SCHEMBL23277703 0.90 CYP3A4 (0.39) CYP3A4LMNASTAT3TP53SMN1; SMN2
SCHEMBL24106455 0.90 CYP3A4 (0.39) CYP3A4LMNASTAT3TP53SMN1; SMN2
SCHEMBL7602274 0.90 CYP3A4 (0.35) CYP3A4LMNASTAT3TP53SMN1; SMN2
SCHEMBL12848830 0.90 CYP3A4 (0.39) CYP3A4LMNASTAT3TP53SMN1; SMN2
SCHEMBL17676555 0.90 CYP3A4 (0.35) CYP3A4LMNASTAT3TP53SMN1; SMN2
SCHEMBL7155026 0.89 LMNA (0.31) CYP3A4LMNASTAT3

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-7608595-B2 4''-deoxy-4''-(S) N-methyl-methoxycarbonylamino-avermectin; pesticide; crop protection MERIAL LIMITED (US) 2009-10-27 US disclosed