SCHEMBL6930933

SCHEMBL6930933

CC(C)COC(=O)[C@H](C#N)C(C)O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
ALDH1A1 P00352 4/20 0.36
MAPT P10636 2/20 0.32
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 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
SCHEMBL6930925 1.00 TSHR (0.39) TSHRALDH1A1MAPTHSD17B10KDM4E
SCHEMBL6930927 1.00 TSHR (0.39) TSHRALDH1A1MAPTHSD17B10KDM4E
SCHEMBL6925032 0.82 SMN1; SMN2 (0.41) TSHRALDH1A1MAPTHSD17B10KDM4E
SCHEMBL6925024 0.82 SMN1; SMN2 (0.41) TSHRALDH1A1MAPTHSD17B10KDM4E
SCHEMBL6925027 0.82 SMN1; SMN2 (0.41) TSHRALDH1A1MAPTHSD17B10KDM4E
SCHEMBL11452860 0.77 TSHR (0.43) TSHRALDH1A1MAPTHSD17B10KDM4E
SCHEMBL6930988 0.77 SMN1; SMN2 (0.38) TSHRALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL6930982 0.77 SMN1; SMN2 (0.38) TSHRALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL6930984 0.77 SMN1; SMN2 (0.38) TSHRALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL19006444 0.77 SMN1; SMN2 (0.38) TSHRALDH1A1KDM4EMAPK1SMN1; SMN2

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