SCHEMBL6930988

SCHEMBL6930988

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP7 P55210 1/20 0.36
CA14 Q9ULX7 2/20 0.35
CA12 O43570 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
ANPEP P15144 2/20 0.31

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
SCHEMBL6930982 1.00 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1TSHRMAPK1CASP7
SCHEMBL19006444 1.00 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1TSHRMAPK1CASP7
SCHEMBL6930984 1.00 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1TSHRMAPK1CASP7
SCHEMBL7527654 0.84 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1TSHRMAPK1CASP7
SCHEMBL13389706 0.80 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1TSHRMAPK1CASP7
SCHEMBL6928048 0.80 TSHR (0.37) ALDH1A1TSHRMAPK1KDM4E
SCHEMBL6928056 0.80 TSHR (0.37) ALDH1A1TSHRMAPK1KDM4E
SCHEMBL6928051 0.80 TSHR (0.37) ALDH1A1TSHRMAPK1KDM4E
SCHEMBL6925024 0.78 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1TSHRMAPK1KDM4E
SCHEMBL6925027 0.78 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1TSHRMAPK1KDM4E

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