Butane

Butane

SCHEMBL14890902

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

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
CA12 O43570 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA1 P00915 1/20 0.38
CA7 P43166 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
DGAT1 O75907 1/20 0.37
CYP2D6 P10635 1/20 0.36
CTSK P43235 4/20 0.36
CTSS P25774 3/20 0.36
LDHA P00338 1/20 0.35
SRR Q9GZT4 1/20 0.35
FFAR3 O14843 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
CA2 P00918 1/20 0.34

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
SCHEMBL52738 0.93 MEN1 (0.42) MEN1GAAKMT2ACA12CA14
SCHEMBL28314694 0.91 MEN1 (0.41) MEN1GAAKMT2ACA12CA14
Ammonia Solution, Strong SCHEMBL3971260 0.91 MEN1 (0.41) MEN1GAAKMT2ACA12CA14
SCHEMBL21406297 0.91 MEN1 (0.41) MEN1GAAKMT2ACA12CA14
SCHEMBL223525 0.91 MEN1 (0.41) MEN1GAAKMT2ACA12CA14
Ethane SCHEMBL1979252 0.91 MEN1 (0.41) MEN1GAAKMT2ACA12CA14
Methane SCHEMBL17763563 0.91 MEN1 (0.41) MEN1GAAKMT2ACA12CA14
SCHEMBL27486074 0.91 MEN1 (0.41) MEN1GAAKMT2ACA12CA14
SCHEMBL28314719 0.88 MEN1 (0.40) MEN1GAAKMT2ACA12CA14
SCHEMBL28338387 0.85 GAA (0.54) MEN1GAAKMT2ATDP1CYP2D6

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
CN-103087222-A Olefin polymerization catalyst, process for producing olefin polymer, polypropylene resin composition and article comprising the same SUMITOMO CHEMICAL CO 2013-05-08 CN disclosed
US-20130109789-A1 OLEFIN POLYMERIZATION CATALYST, PROCESS FOR PRODUCING OLEFIN POLYMER, POLYPROPYLENE RESIN COMPOSITION AND ARTICLE COMPRISING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-02 US disclosed