SCHEMBL6235951

SCHEMBL6235951

CCCCOC(=O)N1C(C(=O)O)COC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.47
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.39
GBA2 Q9HCG7 1/20 0.36
PRKCA P17252 4/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HCAR2 Q8TDS4 1/20 0.33
ATM Q13315 1/20 0.33
PPP5C P53041 1/20 0.32
BCHE P06276 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
IDH1 O75874 1/20 0.32

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
SCHEMBL12164742 1.00 SPHK1 (0.47) SPHK1LMNAPOLBSMN1; SMN2ALDH1A1
SCHEMBL12164706 0.83 LMNA (0.43) SPHK1LMNAPOLBSMN1; SMN2ALDH1A1
SCHEMBL12164689 0.82 SPHK1 (0.43) SPHK1LMNAPOLBSMN1; SMN2ALDH1A1
SCHEMBL12464330 0.80 SPHK1 (0.41) SPHK1LMNAPOLBSMN1; SMN2ALDH1A1
SCHEMBL17202888 0.77 LMNA (0.39) SPHK1LMNAPOLBSMN1; SMN2ALDH1A1
SCHEMBL17202889 0.77 LMNA (0.39) SPHK1LMNAPOLBSMN1; SMN2ALDH1A1
SCHEMBL17224247 0.77 LMNA (0.39) SPHK1LMNAPOLBSMN1; SMN2ALDH1A1
SCHEMBL2319591 0.77 LMNA (0.39) SPHK1LMNAPOLBSMN1; SMN2ALDH1A1
SCHEMBL12164707 0.77 SPHK1 (0.43) SPHK1LMNAPOLBSMN1; SMN2ALDH1A1
SCHEMBL14158149 0.76 LMNA (0.39) LMNAPOLBSMN1; SMN2ALDH1A1GBA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1529030-A2 DERIVATIVES OF GLYCINERGIC R(+)-2-AMINO-3-HYDROXYPROPANOIC ACID Prestwick Pharmaceuticals, Inc. (US) 2005-05-11 EP disclosed
WO-2004016580-A2 DERIVATIVES OF GLYCINERGIC R(+)-2-AMINO-3-HYDROXYPROPANOIC ACID PRESTWICK PHARMACEUTICALS, INC. (US) 2004-02-26 WO disclosed