SCHEMBL20122295

SCHEMBL20122295

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

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 2/20 0.38
PDE4A P27815 1/20 0.33
TOP1 P11387 1/20 0.32
USP2 O75604 1/20 0.31
SLCO1B1 Q9Y6L6 1/20 0.31
TSHR P16473 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
SCHEMBL20306036 0.83 LMNA (0.48) LMNAL3MBTL1TDP1KDM4EPDE4A
SCHEMBL24015250 0.83 LMNA (0.48) LMNAL3MBTL1TDP1KDM4EPDE4A
Propylene Glycol SCHEMBL27780100 0.79 TDP1 (0.59) LMNATDP1TSHR
SCHEMBL26222969 0.79 LMNA (0.43) LMNAL3MBTL1TDP1KDM4EPDE4A
SCHEMBL2305046 0.76 TDP1 (0.44) LMNAL3MBTL1TDP1KDM4ETSHR
SCHEMBL18221666 0.76 TDP1 (0.35) LMNAL3MBTL1TDP1TSHR
SCHEMBL13512903 0.76 TDP1 (0.35) LMNAL3MBTL1TDP1TSHR
SCHEMBL13734026 0.75 LMNA (0.50) LMNAL3MBTL1TDP1KDM4EPDE4A
Ethylene Glycol SCHEMBL17199766 0.73 TSHR (0.33) TDP1TSHR
SCHEMBL5935859 0.73

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
US-9963729-B2 Diversification of human milk oligosaccharides (HMOs) or precursors thereof GLYCOM A/S (DK) 2018-05-08 US disclosed