Isobutanol

Isobutanol

SCHEMBL3468010

CC(C)CO.CCN(C(C)C)C(C)C

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
Alcohol SCHEMBL28322766 0.88 TSHR (0.40) TSHRTDP1MEN1KMT2A
Alcohol SCHEMBL5066648 0.85 TSHR (0.38) TSHRTDP1MEN1KMT2A
Methyl Alcohol SCHEMBL2652388 0.84 MEN1 (0.38) TSHRMEN1KMT2A
SCHEMBL7097725 0.84
SCHEMBL5544690 0.84 MEN1 (0.42) MEN1KMT2A
SCHEMBL1746 0.84
Isopropyl Alcohol SCHEMBL28105402 0.81 ALDH1A1 (0.40) TSHRTDP1MEN1KMT2A
Ammonia Solution, Strong SCHEMBL1997314 0.81 MEN1 (0.40) MEN1KMT2A
SCHEMBL319537 0.81 MEN1 (0.40) MEN1KMT2A
Hydrochloric Acid SCHEMBL22577541 0.81 MEN1 (0.40) MEN1KMT2A

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-2222639-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS Decode Genetics EHF (IS) 2010-09-01 EP disclosed
WO-2009067621-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 WO disclosed