Butane

Butane

SCHEMBL9065696

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

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
FAAH O00519 2/20 0.38
NAAA Q02083 1/20 0.36
DGKA P23743 1/20 0.36
PAM P19021 2/20 0.33
KMT2A Q03164 1/20 0.33
FFAR3 O14843 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
LDHA P00338 1/20 0.32
SRR Q9GZT4 1/20 0.32
RAD52 P43351 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ACHE P22303 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31

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
SCHEMBL9064894 0.91 LDHA (0.38) MGAMGAASIMGAM2FAAH
Butane SCHEMBL6080990 0.85 FAAH (0.49) FAAHNAAADGKARAD52NPSR1
Butane SCHEMBL6080780 0.85 FAAH (0.49) FAAHNAAADGKARAD52NPSR1
Butane SCHEMBL452621 0.85 GAA (0.44) MGAMGAASIMGAM2FAAH
SCHEMBL7815088 0.83 MGAM (0.48) MGAMGAASIMGAM2FAAH
SCHEMBL240283 0.82 GAA (0.46) MGAMGAASIMGAM2FAAH
Butane SCHEMBL455717 0.81 ALDH1A1 (0.52) FAAHNAAADGKAPAMRAD52
SCHEMBL3190803 0.80 GAA (0.44) MGAMGAASIMGAM2FAAH
SCHEMBL3193354 0.80 GAA (0.44) MGAMGAASIMGAM2FAAH
Hydrochloric Acid SCHEMBL10891744 0.80 GAA (0.44) MGAMGAASIMGAM2FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5569780-A Dialkyl 2-haloethyl malonates HULS AKTIENGESELLSCHAFT (DE) 1996-10-29 US disclosed
US-5463111-A Process for preparing dialkyl 2-haloethyl malonates HULS AKTIENGESELLSCHAFT (DE) 1995-10-31 US disclosed