Butane

Butane

SCHEMBL7783737

CCCC.CCCCCCC(CCC)OC(=O)CC(=O)O

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
MAPK1 P28482 5/20 0.45
MAPT P10636 4/20 0.45
GPR84 Q9NQS5 4/20 0.43
LMNA P02545 4/20 0.43
GMNN O75496 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
CYP1A2 P05177 2/20 0.43
MEN1 O00255 2/20 0.43
HSP90AA1 P07900 2/20 0.43
BLM P54132 2/20 0.43
KMT2A Q03164 2/20 0.43
NR1H4 Q96RI1 2/20 0.43
TP53 P04637 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
HIF1A Q16665 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL28605861 0.97 FAAH (0.44) FAAHCNR1CNR2MAPK1MAPT
SCHEMBL8979251 0.95 FAAH (0.49) FAAHCNR1CNR2MAPK1MAPT
SCHEMBL31482280 0.95 FAAH (0.49) FAAHCNR1CNR2MAPK1MAPT
SCHEMBL11800657 0.95 FAAH (0.49) FAAHCNR1CNR2MAPK1MAPT
SCHEMBL4949246 0.95 FAAH (0.49) FAAHCNR1CNR2MAPK1MAPT
SCHEMBL25805874 0.95 FAAH (0.49) FAAHCNR1CNR2MAPK1MAPT
SCHEMBL11800775 0.95 FAAH (0.49) FAAHCNR1CNR2MAPK1MAPT
SCHEMBL11804172 0.95 FAAH (0.49) FAAHCNR1CNR2MAPK1MAPT
SCHEMBL11803719 0.95 FAAH (0.49) FAAHCNR1CNR2MAPK1MAPT
SCHEMBL27884281 0.93 FAAH (0.46) FAAHCNR1CNR2MAPK1MAPT

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-6251946-B1 SATURATED OR UNSATURATED BRANCHED FATTY ACID CONTAINING LIPID ESTER OR FATTY ACID AMIDE TO TREAT CENTRAL NERVOUS SYSTEM DISORDERS, INCLUDING EPILEPSY, MIGRAINES, CHRONIC PAIN AND BIPOLAR DISORDERS D-PHARM LTD. (IL) 2001-06-26 US disclosed