SCHEMBL28258554

SCHEMBL28258554

CC(=O)CCC(C)=O.CC1=CC(=O)OC1=O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.34
SLC15A2 Q16348 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
IAPP P10997 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL20026 0.82
SCHEMBL22654552 0.82 MAPT (0.32) ALDH1A1LMNAHPGDSMN1; SMN2L3MBTL1
Propane SCHEMBL28421994 0.81
Ethane SCHEMBL27991308 0.80 MAPT (0.31) ALDH1A1LMNAHPGDSMN1; SMN2L3MBTL1
Fluoride SCHEMBL28065004 0.80
SCHEMBL28106645 0.80
SCHEMBL8578323 0.80
Glycine SCHEMBL11849457 0.78 GLRA1 (0.39)
Ethylene SCHEMBL28090460 0.78 MEN1 (0.30) L3MBTL1
Fumaric Acid SCHEMBL28112055 0.76 ALDH1A1 (0.37) ALDH1A1LMNAKDM4EHPGD

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
CN-108956241-A The multiple staining method of organization chip 深圳大学 2018-12-07 CN disclosed