Butane

Butane

SCHEMBL10792124

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

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.57
NAAA Q02083 1/20 0.48
DGKA P23743 1/20 0.44
RAD52 P43351 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
EPHX1 P07099 1/20 0.42
ACHE P22303 6/20 0.41
PAM P19021 2/20 0.41
HTT P42858 1/20 0.41
HTR2C P28335 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
HCAR2 Q8TDS4 1/20 0.39

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 SCHEMBL6079989 1.00 FAAH (0.57) FAAHNAAADGKARAD52NPSR1
Butane SCHEMBL23607922 0.98 FAAH (0.54) FAAHNAAADGKARAD52NPSR1
SCHEMBL11037468 0.93 FAAH (0.50) FAAHNAAADGKARAD52NPSR1
SCHEMBL11041535 0.93 FAAH (0.50) FAAHNAAADGKARAD52NPSR1
SCHEMBL11040479 0.93 FAAH (0.50) FAAHNAAADGKARAD52NPSR1
SCHEMBL29267685 0.91 FAAH (0.47) FAAHNAAADGKARAD52NPSR1
Butane SCHEMBL11540499 0.87 NAAA (0.64) FAAHNAAADGKARAD52NPSR1
Butane SCHEMBL9472805 0.87 NAAA (0.64) FAAHNAAADGKARAD52NPSR1
Butane SCHEMBL11001690 0.87 NAAA (0.64) FAAHNAAADGKARAD52NPSR1
Butane SCHEMBL10557325 0.87 NAAA (0.64) FAAHNAAADGKARAD52NPSR1

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-0097719-B1 PROCESS FOR PRODUCING HIGHER DIBASIC ACID DIMETHYL ESTER Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1987-06-03 EP disclosed
US-4525251-A DIMETHYL SEBACATE, BRASSYLATE, OR THAPSATE; BATCH ELECTROLYTIC CON ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1985-06-25 US disclosed
EP-0097719-A1 PROCESS FOR PRODUCING HIGHER DIBASIC ACID DIMETHYL ESTER Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1984-01-11 EP disclosed