SCHEMBL6928104

SCHEMBL6928104

N#CCC(O)CC(=O)O.[NaH]

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.55
GABRR1 P24046 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
GPR84 Q9NQS5 4/20 0.38
MMP12 P39900 3/20 0.38
MMP13 P45452 3/20 0.38
TDP1 Q9NUW8 1/20 0.35
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP14 P50281 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
SCHEMBL197016 0.98
SCHEMBL198166 0.98
SCHEMBL197015 0.98
SCHEMBL6928974 0.95 SLC22A6 (0.55) SLC22A6GABRR1LMNAMAPTSMN1; SMN2
Ammonia Solution, Strong SCHEMBL28016729 0.95 SLC22A6 (0.55) SLC22A6GABRR1LMNAMAPTSMN1; SMN2
SCHEMBL6928966 0.95 SLC22A6 (0.55) SLC22A6GABRR1LMNAMAPTSMN1; SMN2
SCHEMBL6928106 0.95 SLC22A6 (0.55) SLC22A6GABRR1LMNAMAPTSMN1; SMN2
SCHEMBL1635793 0.95 SLC22A6 (0.55) SLC22A6GABRR1LMNAMAPTSMN1; SMN2
SCHEMBL4739671 0.86 SLC22A6 (0.50) SLC22A6GABRR1LMNAMAPTSMN1; SMN2
SCHEMBL17203945 0.86 SLC22A6 (0.50) SLC22A6GABRR1LMNAMAPTSMN1; 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