Butane

Butane

SCHEMBL3825261

CCCC.CCOC(=O)c1cnc2ccc(OC)cc2c1O

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.61
ALDH1A1 P00352 6/20 0.61
HPGD P15428 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
LMNA P02545 3/20 0.61
KDM4E B2RXH2 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
NMT1 P30419 2/20 0.60
TP53 P04637 3/20 0.59
KMT2A Q03164 3/20 0.56
NPSR1 Q6W5P4 2/20 0.55
HTT P42858 1/20 0.55
CLK1 P49759 1/20 0.55
GAA P10253 2/20 0.53
MEN1 O00255 2/20 0.53
THRB P10828 1/20 0.53
SLC2A1 P11166 1/20 0.53
RAB9A P51151 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL31603107 0.97 MAPT (0.63) MAPTALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL620359 0.97 MAPT (0.63) MAPTALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL30855071 0.93 MAPT (0.61) MAPTALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL18285426 0.90 MAPT (0.55) MAPTALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL29896399 0.90 MAPT (0.55) MAPTALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL618410 0.89 MAPT (0.62) MAPTALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL620990 0.88 MAPT (0.53) MAPTALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL1040706 0.88 MAPT (0.54) MAPTALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL620385 0.85 NMT1 (0.53) MAPTALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL6197990 0.84 TP53 (0.63) MAPTALDH1A1HPGDSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1796466-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2009-09-02 EP disclosed
EP-1796466-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-06-20 EP disclosed
WO-2006002047-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-01-05 WO disclosed