Butane

Butane

SCHEMBL2047170

CCCC.CCCCCCCCCCCCOC(=O)C(CC)P(=O)(O)O

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 6/20 0.47
LPAR2 Q9HBW0 3/20 0.47
LPAR1 Q92633 2/20 0.47
NAAA Q02083 1/20 0.47
EPHX1 P07099 1/20 0.44
TSHR P16473 2/20 0.43
FDPS P14324 3/20 0.43
HCAR2 Q8TDS4 1/20 0.41
RAD52 P43351 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LAP3 P28838 1/20 0.41

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 SCHEMBL2044770 1.00 LPAR3 (0.47) LPAR3LPAR2LPAR1NAAAEPHX1
Butane SCHEMBL2047549 1.00 LPAR3 (0.47) LPAR3LPAR2LPAR1NAAAEPHX1
SCHEMBL9488560 0.98 LPAR3 (0.48) LPAR3LPAR2LPAR1NAAAEPHX1
Diethylamine SCHEMBL27849927 0.91 EPHX1 (0.44) LPAR3LPAR2LPAR1NAAAEPHX1
SCHEMBL3681372 0.86 FDPS (0.52) LPAR3LPAR2LPAR1NAAAEPHX1
SCHEMBL9486473 0.86 FDPS (0.47) LPAR3LPAR2LPAR1NAAAEPHX1
SCHEMBL9485820 0.86 FDPS (0.52) LPAR3LPAR2LPAR1NAAAEPHX1
SCHEMBL9486490 0.85 FDPS (0.50) LPAR3LPAR2LPAR1NAAAEPHX1
Butane SCHEMBL2052354 0.80 POLB (0.44) TSHRFDPSLAP3
SCHEMBL9486374 0.79 LPAR3 (0.50) LPAR3LPAR2LPAR1NAAAEPHX1

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
US-8748543-B2 Polylactic acid film TEIJIN LIMITED (JP) 2014-06-10 US disclosed
US-20110224342-A1 POLYLACTIC ACID FILM TEIJIN LIMITED (JP) 2011-09-15 US disclosed
EP-2330148-A1 POLYLACTIC ACID FILM Teijin Limited (JP) 2011-06-08 EP disclosed