SCHEMBL1896624

SCHEMBL1896624

CC(=O)CCC(=O)OC(O)[C@H](C)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
LMNA P02545 3/20 0.37
SLC15A2 Q16348 1/20 0.37
MAPT P10636 3/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL1898675 1.00 ALDH1A1 (0.43) ALDH1A1LMNASLC15A2MAPTTSHR
SCHEMBL4245440 0.83 KDM2A (0.43) LMNASLC15A2MAPTTSHRMAPK1
SCHEMBL10936262 0.82 LMNA (0.52) ALDH1A1LMNAMAPTTSHRMAPK1
Isopropyl Alcohol SCHEMBL811815 0.80 LMNA (0.50) ALDH1A1LMNASLC15A2MAPTTSHR
SCHEMBL16580864 0.79 ALDH1A1 (0.50) ALDH1A1LMNASLC15A2MAPTTSHR
SCHEMBL811107 0.79 LMNA (0.54) ALDH1A1LMNASLC15A2MAPTTSHR
Propylene Glycol SCHEMBL602325 0.79 LMNA (0.46) ALDH1A1LMNASLC15A2MAPTTSHR
SCHEMBL4567081 0.78 ALDH1A1 (0.43) ALDH1A1LMNASLC15A2MAPTTSHR
SCHEMBL11816713 0.77 LMNA (0.52) ALDH1A1LMNASLC15A2MAPTTSHR
SCHEMBL31573806 0.77 TDP1 (0.38) ALDH1A1LMNAMAPTTSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130052204-A1 (POLY)-GLYCEROLPHOSPHATE-BASED ANTI-GRAM POSITIVE BACTERIAL VACCINE THE HENRY M. JACKSON FOUNDATION FOR THE ADVANCEMENT OF MILITARY MEDICINE, INC. 2013-02-28 US disclosed
EP-2501403-A2 (POLY)-GLYCEROLPHOSPHATE-BASED ANTI-GRAM POSITIVE BACTERIAL VACCINE The Henry M. Jackson Foundation for the Advancement of Military Medicine, Inc. (US) 2012-09-26 EP disclosed
WO-2011060379-A2 (POLY)-GLYCEROLPHOSPHATE-BASED ANTI-GRAM POSITIVE BACTERIAL VACCINE SNAPPER CLIFFORD M (US) 2011-05-19 WO disclosed