SCHEMBL4282650

SCHEMBL4282650

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
BLM P54132 1/20 0.41
SLC6A3 Q01959 1/20 0.41
MEN1 O00255 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
USP2 O75604 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36
KDM4E B2RXH2 2/20 0.30
PDE4A P27815 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
SCHEMBL5689276 0.77 LMNA (0.48) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL11806029 0.72
SCHEMBL9938062 0.71 LMNA (0.52) LMNAL3MBTL1TDP1USP2SLCO1B1
Bromide SCHEMBL5889222 0.70 SLC6A2 (0.48) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL6061965 0.69
Xylitol SCHEMBL9070177 0.69 LMNA (0.56) TSHRLMNAL3MBTL1TDP1USP2
SCHEMBL3348437 0.69
SCHEMBL1663118 0.69
SCHEMBL1665407 0.69
SCHEMBL12942452 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042749-A1 N,N-Dialkylpolyhydroxyalkylamines AIR PRODUCTS AND CHEMICALS, INC. (US) 2009-02-12 US disclosed
EP-1676831-B1 N,N-dialkylpolyhydroxyalkylamines AIR PROD & CHEM (US) 2008-10-08 EP disclosed
EP-1676831-A1 N,N-dialkylpolyhydroxyalkylamines Air Products and Chemicals, Inc. (US) 2006-07-05 EP disclosed
US-20060100127-A1 N,N-dialkylpolyhydroxyalkylamines AIR PRODUCTS AND CHEMICALS, INC. 2006-05-11 US disclosed