Isobutyramide

Isobutyramide

SCHEMBL6027666

CC(C)C(N)=O.OCC(O)CO

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
ALDH1A1 P00352 1/20 0.50
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35
OR51E2 Q9H255 1/20 0.33
TP53 P04637 1/20 0.32
KDM4E B2RXH2 1/20 0.31
DUSP3 P51452 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 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
Isobutyramide SCHEMBL27459873 0.95 LMNA (0.45) LMNAALDH1A1TDP1TSHRTHRB
Glycerin SCHEMBL19182834 0.82 LMNA (0.56) LMNAALDH1A1TDP1THRBOR51E2
Glycerin SCHEMBL8328163 0.82 LMNA (0.64) LMNAALDH1A1TDP1THRBOR51E2
Glycerin SCHEMBL4538901 0.82 LMNA (0.64) LMNAALDH1A1TDP1THRBOR51E2
Isobutyramide SCHEMBL7705026 0.81 TDP1 (0.53) LMNAALDH1A1TDP1TSHROR51E2
Glycerin SCHEMBL8537586 0.80 LMNA (0.53) LMNAALDH1A1TDP1TSHRTHRB
Glycerin SCHEMBL11364524 0.80 LMNA (0.53) LMNAALDH1A1TDP1TSHRTHRB
Glycerin SCHEMBL2442337 0.80 LMNA (0.53) LMNAALDH1A1TDP1TSHRTHRB
Glycerin SCHEMBL1838800 0.80 LMNA (0.53) LMNAALDH1A1TDP1TSHRTHRB
Glycerin SCHEMBL8107234 0.79 LMNA (0.60) LMNAALDH1A1THRBOR51E2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6991809-B2 Particles with improved solubilization capacity LYOTROPIC THERAPEUTICS, INC. (US) 2006-01-31 US disclosed
US-20030022242-A1 Particle for use in the absorption of one or more materials in preferential environments LYOTROPIC THERAPEUTICS, INC. 2003-01-30 US disclosed