SCHEMBL20005538

SCHEMBL20005538

CC(CO)OC(CO)[C@@H](O)CO

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 1/20 0.32
KDM4E B2RXH2 2/20 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
SCHEMBL15450712 1.00 TDP1 (0.36) TDP1LMNAL3MBTL1TSHRKDM4E
SCHEMBL14217635 0.84 TDP1 (0.32) TDP1LMNAL3MBTL1
SCHEMBL13621719 0.84 TDP1 (0.32) TDP1
SCHEMBL9915203 0.82 TDP1 (0.31) TDP1
SCHEMBL14845686 0.82 TDP1 (0.38) TDP1TSHR
SCHEMBL18089526 0.82 TDP1 (0.38) TDP1LMNAL3MBTL1TSHRKDM4E
SCHEMBL20172545 0.82 TDP1 (0.38) TDP1LMNAL3MBTL1TSHRKDM4E
SCHEMBL14294311 0.82 TDP1 (0.38) TDP1LMNAL3MBTL1TSHRKDM4E
SCHEMBL18016628 0.82 TDP1 (0.38) TDP1TSHR
SCHEMBL15357334 0.82 TDP1 (0.38) TDP1TSHR

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-2018054959-A1 COMPOUNDS FOR TREATMENT OF LIPOPROTEIN METABOLISM DISORDERS AARHUS UNIVERSITET (DK) 2018-03-29 WO disclosed