SCHEMBL28813625

SCHEMBL28813625

COC(=O)C1COC(C(=O)OC)CO1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.41
PPM1B O75688 1/20 0.38
PTPN1 P18031 1/20 0.38
PPP1CC P36873 1/20 0.38
MIF P14174 3/20 0.36
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
HTT P42858 1/20 0.33
BRD4 O60885 1/20 0.32
TP53 P04637 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL3809389 1.00 PDK1 (0.41) PDK1PPM1BPTPN1PPP1CCMIF
SCHEMBL840388 0.97
SCHEMBL30912051 0.97 PDK1 (0.42) PDK1PPM1BPTPN1PPP1CCMIF
SCHEMBL839705 0.97
SCHEMBL839706 0.97
SCHEMBL31571897 0.95 PDK1 (0.41) PDK1PPM1BPTPN1PPP1CCMIF
Hydrochloric Acid SCHEMBL31256790 0.95
SCHEMBL3754950 0.91 PPM1B (0.41) PDK1PPM1BPTPN1PPP1CCMIF
SCHEMBL8069072 0.91 PPM1B (0.41) PDK1PPM1BPTPN1PPP1CCMIF
Carbamic Acid SCHEMBL25294162 0.88 PPM1B (0.38) PDK1PPM1BPTPN1PPP1CCMIF

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114605405-B Cell lipid drop fluorescence imaging probe based on quinacridone skeleton and application thereof 吉林大学 2023-09-05 CN disclosed
CN-114605405-A Quinacridone skeleton-based cell lipid drop fluorescence imaging probe and application thereof 吉林大学 2022-06-10 CN disclosed