Isobutyramide

Isobutyramide

SCHEMBL7723757

CC(C)C(N)=O.CCNC(=O)c1ccccc1O

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.56
▸ CA9 Q16790 2/20 0.56
▸ NAAA Q02083 1/20 0.54
▸ KDM4E B2RXH2 8/20 0.52
▸ MAPT P10636 4/20 0.52
▸ ALDH1A1 P00352 4/20 0.49
▸ HPGD P15428 4/20 0.49
▸ HSD17B10 Q99714 4/20 0.49
▸ TSHR P16473 3/20 0.49
▸ LMNA P02545 2/20 0.49
▸ GAA P10253 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MPO P05164 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ MCOLN3 Q8TDD5 1/20 0.47
▸ CTDSP1 Q9GZU7 1/20 0.47

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
SCHEMBL1797745 0.88 CA1 (0.68) CA1CA9NAAAKDM4EMAPT
Phosphoric Acid SCHEMBL8161708 0.81 NAAA (0.60) CA1CA9NAAAKDM4EMAPT
SCHEMBL8346284 0.81 CA1 (0.59) CA1CA9NAAAKDM4EMAPT
SCHEMBL8347809 0.81 CA1 (0.52) CA1CA9NAAAKDM4EMAPT
SCHEMBL7723758 0.79 CA1 (0.57) CA1CA9NAAAKDM4EMAPT
SCHEMBL13038296 0.78 NAAA (0.53) CA1CA9NAAAKDM4EMAPT
SCHEMBL26417076 0.77 HTT (0.64) CA1CA9NAAAALDH1A1HPGD
SCHEMBL31483721 0.77 HTT (0.64) CA1CA9NAAAALDH1A1HPGD
SCHEMBL3183106 0.77 POLB (0.59) CA1CA9NAAAKDM4EMAPT
SCHEMBL6566957 0.76 TSHR (0.55) CA1CA9KDM4EMAPTALDH1A1

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
EP-1226104-A1 PHENOXY CARBOXYLIC ACID COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS Emisphere Technologies, Inc. (US) 2002-07-31 — — EP disclosed
WO-2001032596-A1 PHENOXY CARBOXYLIC ACID COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2001-05-10 — — WO disclosed
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