Butane

Butane

SCHEMBL11241850

CCCC.CCCCCOC(=O)C1C=CCCC1C(=O)O

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.40
NAAA Q02083 1/20 0.38
CHRM2 P08172 3/20 0.38
CHRM4 P08173 3/20 0.38
CHRM5 P08912 3/20 0.38
CHRM1 P11229 3/20 0.38
CHRM3 P20309 3/20 0.38
PPM1B O75688 1/20 0.37
PTPN1 P18031 1/20 0.37
PPP1CC P36873 1/20 0.37
S1PR5 Q9H228 2/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 2/20 0.36
HCAR2 Q8TDS4 1/20 0.35
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL6426882 0.97 PPARG (0.43) PPARGNAAACHRM2CHRM4CHRM5
SCHEMBL6322622 0.94 MAPK1 (0.40) PPARGCHRM2CHRM4CHRM5CHRM1
SCHEMBL11818634 0.89 CHRM2 (0.41) PPARGNAAACHRM2CHRM4CHRM5
SCHEMBL453781 0.89 CHRM2 (0.41) PPARGNAAACHRM2CHRM4CHRM5
SCHEMBL6323292 0.89 PPM1B (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL13571261 0.86 USP2 (0.30) PPM1BPTPN1PPP1CC
SCHEMBL235113 0.86 CHRM2 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL13571377 0.85 USP2 (0.31) PPM1BPTPN1PPP1CC
SCHEMBL6561381 0.83 S1PR5 (0.40) NAAAS1PR5POLBMAPK1TP53
SCHEMBL7202203 0.83 POLB (0.42) POLBTSHR

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-4314946-A Process for the continuous separation of maleic anhydride from process gases FTALITAL PRODOTTI CHIMICI SPECIALI S.P.A. (IT) 1982-02-09 US disclosed