SCHEMBL6925032

SCHEMBL6925032

CCOC(=O)[C@H](C#N)C(C)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 5/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
GAA P10253 3/20 0.38
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SOAT1 P35610 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL6925024 1.00 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1ALDH1A1TSHRMEN1
SCHEMBL6925027 1.00 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1ALDH1A1TSHRMEN1
SCHEMBL10535054 0.87 SMN1; SMN2 (0.45) SMN1; SMN2L3MBTL1ALDH1A1TSHRMEN1
SCHEMBL411806 0.85 SMN1; SMN2 (0.42) SMN1; SMN2L3MBTL1ALDH1A1TSHRMEN1
SCHEMBL13858310 0.83 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1ALDH1A1TSHRMEN1
SCHEMBL23130401 0.82 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1ALDH1A1TSHRMEN1
SCHEMBL7706526 0.82 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1ALDH1A1TSHRMEN1
SCHEMBL6930925 0.82 TSHR (0.39) SMN1; SMN2ALDH1A1TSHRMEN1KMT2A
SCHEMBL6930933 0.82 TSHR (0.39) SMN1; SMN2ALDH1A1TSHRMEN1KMT2A
SCHEMBL6930927 0.82 TSHR (0.39) SMN1; SMN2ALDH1A1TSHRMEN1KMT2A

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-6586616-B1 Cyanation and esterification of 3,4-epoxybutyric acid sodium salts to form chemical intermediates for antilipemic agents; by-product inhibition SAMSUNG FINE CHEMICALS CO., LTD. (KR) 2003-07-01 US disclosed
EP-1149068-A4 A PROCESS FOR PREPARING (R)-4-CYANO-3-HYDROXYBUTYRIC ACID ESTER SAMSUNG FINE CHEMICALS CO LTD (KR) 2003-01-02 EP disclosed
EP-1149068-A1 A PROCESS FOR PREPARING (R)-4-CYANO-3-HYDROXYBUTYRIC ACID ESTER Samsung Fine Chemicals Co., Ltd. (KR) 2001-10-31 EP disclosed
WO-2000046186-A1 A PROCESS FOR PREPARING (R)-4-CYANO-3-HYDROXYBUTYRIC ACID ESTER SAMSUNG FINE CHEMICALS CO., LTD (KR) 2000-08-10 WO disclosed