Butane

Butane

SCHEMBL9288385

CCCC.COCc1cc(OC)cc(OC(=O)C(C)(C)C)c1.O=PO

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 12/20 0.40
PTGS2 P35354 1/20 0.38
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
CALM1 P0DP23 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
PRTN3 P24158 3/20 0.34
CYP24A1 Q07973 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL5164455 0.82 ELANE (0.38) ELANEPTGS2POLBKMT2ACALM1
SCHEMBL13446246 0.73 ELANE (0.39) ELANEPTGS2POLBKMT2ACALM1
SCHEMBL14680932 0.72 ELANE (0.48) ELANEALDH1A1
SCHEMBL9925703 0.71 ELANE (0.64) ELANE
SCHEMBL31052 0.71 ALDH1A1 (0.58) PTGS2CALM1GABRA1GABRG2GABRB3
SCHEMBL18556937 0.70 ELANE (0.71) ELANEPRTN3
SCHEMBL5159822 0.70 ELANE (0.37) ELANEPOLBPRTN3
SCHEMBL20306461 0.69 ELANE (0.51) ELANEPTGS2CALM1PRTN3ALDH1A1
SCHEMBL15395812 0.68 BACE1 (0.44) ELANEPTGS2POLBKMT2ACALM1
Phosphonic Acid SCHEMBL9638832 0.68 ELANE (0.45) ELANE

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-0649417-A1 IMPROVED CHEMILUMINESCENT 1,2-DIOXETANES TROPIX, INC. (US) 1995-04-26 EP disclosed
EP-0649417-A4 IMPROVED CHEMILUMINESCENT 1,2-DIOXETANES. TROPIX INC (US) 1995-02-27 EP disclosed
WO-1994026726-A1 IMPROVED CHEMILUMINESCENT 1,2-DIOXETANES TROPIX, INC. (US) 1994-11-24 WO disclosed