SCHEMBL23552118

SCHEMBL23552118

COC(OCCO)C(O)[C@H](O)CO

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 2/20 0.34
PDE4A P27815 1/20 0.30
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30

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
SCHEMBL12360954 0.87 LMNA (0.32) LMNAL3MBTL1TDP1PPARGPPARD
SCHEMBL14349363 0.87 LMNA (0.32) LMNAL3MBTL1TDP1PPARGPPARD
SCHEMBL18214563 0.82
SCHEMBL12285378 0.79
SCHEMBL14640865 0.78
SCHEMBL17072436 0.78 LMNA (0.44) LMNAL3MBTL1TDP1KDM4EPDE4A
SCHEMBL13914146 0.75
SCHEMBL8010997 0.73 LMNA (0.48) LMNAL3MBTL1TDP1KDM4EPDE4A
SCHEMBL28285698 0.73 LMNA (0.48) LMNAL3MBTL1TDP1KDM4EPDE4A
SCHEMBL14628004 0.72 ALDH1A1 (0.37) LMNAL3MBTL1

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-2021127642-A1 SELECTIVE VALORIZATION OF BIOMASS SUGARS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-06-24 WO disclosed