Butane

Butane

SCHEMBL28113316

CCC(O)C(=O)O.CCCC

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.52
FFAR1 O14842 1/20 0.52
OR51E2 Q9H255 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
CHRM1 P11229 1/20 0.43
AKR1A1 P14550 1/20 0.43
CHRM3 P20309 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
ADRA1A P35348 1/20 0.43
HRH1 P35367 1/20 0.43
DRD3 P35462 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA2 P00918 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL15355768 0.94
SCHEMBL264859 0.94
SCHEMBL15717118 0.94 OR51E2 (0.53) GPR84FFAR1OR51E2SMN1; SMN2
SCHEMBL193026 0.94
SCHEMBL6963 0.94
SCHEMBL19434139 0.91
SCHEMBL2483565 0.91
Bicarbonate SCHEMBL21899730 0.91 OR51E2 (0.50) GPR84FFAR1OR51E2SMN1; SMN2
SCHEMBL11666742 0.91
Water SCHEMBL19183321 0.91

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-104870588-B The contact adhesive prepared by degradable monomer and polymer 3M INNOVATIVE PROPERTIES CO. (US) 2016-11-30 CN disclosed