Isobutane

Isobutane

SCHEMBL28176404

C=C(C)C(=O)Oc1ccccc1.CC(C)C

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.67
ATM Q13315 4/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
MTNR1A P48039 4/20 0.41
MTNR1B P49286 4/20 0.41
HSP90AA1 P07900 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
XBP1 P17861 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
Benzene SCHEMBL28301757 0.94 ELANE (0.73) ELANEATMKMT2AALDH1A1MAPT
SCHEMBL15058 0.94 ELANE (0.73) ELANEATMKMT2AALDH1A1MAPT
Benzene SCHEMBL27862765 0.94 ELANE (0.73) ELANEATMKMT2AALDH1A1MAPT
SCHEMBL87437 0.94 ELANE (0.73) ELANEATMKMT2AALDH1A1MAPT
Methyl Alcohol SCHEMBL29034962 0.92 ELANE (0.71) ELANEATMKMT2AALDH1A1MAPT
Hydrogen Sulfide SCHEMBL8857896 0.92 ELANE (0.71) ELANEATMKMT2AALDH1A1MAPT
Hydroxyl Radical SCHEMBL28262036 0.92 ELANE (0.71) ELANEATMKMT2AALDH1A1MAPT
SCHEMBL10896932 0.92 ELANE (0.71) ELANEATMKMT2AALDH1A1MAPT
Water SCHEMBL11049169 0.92 ELANE (0.71) ELANEATMKMT2AALDH1A1MAPT
Benzene SCHEMBL28221417 0.92 ELANE (0.71) ELANEATMKMT2AALDH1A1MAPT

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
CN-105209541-B Methacrylic resin composition and its formed body 株式会社可乐丽 2017-12-12 CN disclosed
CN-107109018-A Acrylic film 株式会社可乐丽 2017-08-29 CN disclosed