SCHEMBL16127014

SCHEMBL16127014

CCCCO[C@H]1C[C@@H](COC(C)=O)OC[C@H]1O

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
PPP5C P53041 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
GBA1 P04062 1/20 0.34
PDK1 Q15118 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL402805 0.81 ALDH1A1 (0.39) ALDH1A1PDK1
SCHEMBL15837077 0.78 ALDH1A1 (0.43) ALDH1A1PDK1TDP1
SCHEMBL16126994 0.78 ALDH1A1 (0.43) ALDH1A1PDK1TDP1
SCHEMBL402695 0.76 ALDH1A1 (0.46) ALDH1A1TDP1
SCHEMBL14568800 0.74 PPP5C (0.38) ALDH1A1PPP5C
SCHEMBL12942089 0.73 ALDH1A1 (0.39) ALDH1A1PDK1
SCHEMBL22194032 0.72 ALDH1A1 (0.41) ALDH1A1PDK1
SCHEMBL20344000 0.72 ALDH1A1 (0.41) ALDH1A1PDK1
SCHEMBL18756620 0.72 ALDH1A1 (0.41) ALDH1A1PDK1
SCHEMBL20033456 0.71 ALDH1A1 (0.38) ALDH1A1PDK1

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
WO-2014152718-A1 SACCHARIDE CONJUGATES ARIZONA BOARD OF REGENTS, FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2014-09-25 WO disclosed