SCHEMBL6928974

SCHEMBL6928974

N#CCC(O)CC(=O)O.[CaH2]

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
SCHEMBL6928966 1.00 SLC22A6 (0.55) SLC22A6GABRR1LMNAMAPTSMN1; SMN2
SCHEMBL197015 0.98
SCHEMBL197016 0.98
SCHEMBL198166 0.98
Ammonia Solution, Strong SCHEMBL28016729 0.95 SLC22A6 (0.55) SLC22A6GABRR1LMNAMAPTSMN1; SMN2
SCHEMBL6928104 0.95 SLC22A6 (0.55) SLC22A6GABRR1LMNAMAPTSMN1; SMN2
SCHEMBL6928106 0.95 SLC22A6 (0.55) SLC22A6GABRR1LMNAMAPTSMN1; SMN2
SCHEMBL1635793 0.95 SLC22A6 (0.55) SLC22A6GABRR1LMNAMAPTSMN1; SMN2
SCHEMBL17203945 0.86 SLC22A6 (0.50) SLC22A6GABRR1LMNAMAPTSMN1; SMN2
SCHEMBL4739671 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