Butane

Butane

SCHEMBL28286004

CC(S)CC(=O)O.CC(S)CC(=O)O.CCCC

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.40
FFAR3 O14843 2/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
PTGS2 P35354 1/20 0.38
RNPEP Q9H4A4 1/20 0.37
CACNA2D1 P54289 2/20 0.37
CACNB3 P54284 1/20 0.37
CACNA1C Q13936 1/20 0.37
PGR P06401 1/20 0.37
ADRA1A P35348 1/20 0.37
HTR2B P41595 1/20 0.37
CACNA2D2 Q9NY47 1/20 0.37

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
Butane SCHEMBL28258468 1.00 GPR84 (0.40) GPR84FFAR3SLC22A6HDAC3HDAC1
Propane SCHEMBL28262292 0.92 SLC22A6 (0.41) GPR84FFAR3SLC22A6TDP1ALDH1A1
SCHEMBL98745 0.92
SCHEMBL20966262 0.92
SCHEMBL8612540 0.92
1-Propanethiol SCHEMBL31441303 0.90 GPR84 (0.38) GPR84FFAR3SLC22A6HDAC3HDAC1
Methyl Alcohol SCHEMBL30549331 0.89 SLC22A6 (0.43) FFAR3SLC22A6TDP1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL7707568 0.89
Methane SCHEMBL17765086 0.89 SLC22A6 (0.43) FFAR3SLC22A6TDP1ALDH1A1LMNA
SCHEMBL28224170 0.89

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109486459-A A kind of no xanthochromia, wet-heat resisting low-temperature setting adhesive and preparation method thereof 烟台信友新材料有限公司 2019-03-19 CN disclosed