Butane

Butane

SCHEMBL8404111

CCCC.CCCC(C)OC(=O)CC(=O)O

nearest known ligand 0.47

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.47
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
CHRM1 P11229 1/20 0.37
AKR1A1 P14550 1/20 0.37
CHRM3 P20309 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A3 Q01959 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL1206455 0.98 FAAH (0.49) FAAHCNR1CNR2HDAC1HDAC2
Malonic Acid SCHEMBL6828061 0.96 FAAH (0.47) FAAHCNR1CNR2HDAC1HDAC2
SCHEMBL905430 0.87 FAAH (0.53) FAAHCNR1CNR2HDAC1HDAC2
SCHEMBL905443 0.87 FAAH (0.53) FAAHCNR1CNR2HDAC1HDAC2
SCHEMBL905444 0.87 FAAH (0.53) FAAHCNR1CNR2HDAC1HDAC2
SCHEMBL5467177 0.86 FAAH (0.58) FAAHCNR1CNR2ALDH1A1LMNA
SCHEMBL4445232 0.86 FAAH (0.58) FAAHCNR1CNR2ALDH1A1LMNA
Butane SCHEMBL15549607 0.86 FAAH (0.41) FAAHCNR1CNR2HDAC1HDAC2
SCHEMBL6828062 0.85 FAAH (0.66) FAAHCNR1CNR2ALDH1A1LMNA
SCHEMBL7945794 0.83 FAAH (0.69) FAAHCNR1CNR2ALDH1A1LMNA

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
US-5948945-A Prevention of spontaneous decomposition of gaseous acetylene BASF AKTIENGESELLSCHAFT (DE) 1999-09-07 US claimed