SCHEMBL7720634

SCHEMBL7720634

O=C(O)CCOCCNCC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.36
LMNA P02545 2/20 0.35
EGLN1 Q9GZT9 2/20 0.35
ALKBH5 Q6P6C2 1/20 0.35
SUCNR1 Q9BXA5 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
TSHR P16473 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
CD274 Q9NZQ7 2/20 0.32
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
HSD17B10 Q99714 1/20 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
SCHEMBL7191311 0.91 LMNA (0.38) LTA4HLMNAEGLN1ALKBH5SUCNR1
SCHEMBL17229458 0.88 SMN1; SMN2 (0.38) LTA4HLMNAEGLN1ALKBH5SUCNR1
SCHEMBL17089915 0.88 SMN1; SMN2 (0.38) LTA4HLMNAEGLN1ALKBH5SUCNR1
SCHEMBL30433408 0.88 SMN1; SMN2 (0.38) LTA4HLMNAEGLN1ALKBH5SUCNR1
SCHEMBL18882749 0.88 SMN1; SMN2 (0.38) LTA4HLMNAEGLN1ALKBH5SUCNR1
SCHEMBL25041340 0.87 SMN1; SMN2 (0.35) LMNAEGLN1ALKBH5SUCNR1SMN1; SMN2
SCHEMBL7716541 0.87 TSHR (0.47) LTA4HLMNATSHRKMT2ASLC22A6
Hydrochloric Acid SCHEMBL26689478 0.86 SMN1; SMN2 (0.37) LTA4HLMNAEGLN1ALKBH5SUCNR1
SCHEMBL29004037 0.86 LMNA (0.37) LMNAEGLN1SMN1; SMN2TSHRMEN1
SCHEMBL7720909 0.85 ALDH1A1 (0.45) LTA4HLMNATSHRSLC22A6PMP22

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6417396-B1 BY-PRODUCT INHIBITION; REACTING ORGANIC ALKALI OR ALKALINE EARTH METAL CARBOXYLATE, PHOSPHONATE, OR SULFONATE; ACYLATION, PHOSPHORYLATION, SULFONATION, AMIDATION, ALKYLATION, CYCLIZATION, OR CONDENSATION Lambert, Warner 2002-07-09 US disclosed
US-6395930-B1 AMINE SULFIDE PHOSPHATE OR SULFATE REAGENTS WARNER LAMBERT 2002-05-28 US disclosed
US-6121488-A Quenching reagents for solution phase synthesis WARNER-LAMBERT COMPANY (US) 2000-09-19 US disclosed