Methyl Isobutyl Ketone

Methyl Isobutyl Ketone

SCHEMBL4849401

CC(=O)CC(C)C.COC.OCCOCCO

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CA2 P00918 1/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 1/20 0.33
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30

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
Methyl Isobutyl Ketone SCHEMBL28119601 0.96 ALDH1A1 (0.64) ALDH1A1TDP1TSHRMAPK1MEN1
Tetraethylene Glycol SCHEMBL16881570 0.91 TDP1 (0.48) ALDH1A1TDP1TSHRMAPK1MEN1
Methyl Isobutyl Ketone SCHEMBL143399 0.88 ALDH1A1 (0.54) ALDH1A1TDP1TSHRMAPK1MEN1
Methyl Isobutyl Ketone SCHEMBL105947 0.86 ALDH1A1 (0.56) ALDH1A1TDP1TSHRMAPK1MEN1
Methyl Isobutyl Ketone SCHEMBL105458 0.85 ALDH1A1 (0.61) ALDH1A1TDP1CA2HTTMMP1
Methyl Isobutyl Ketone SCHEMBL28232965 0.84 ALDH1A1 (0.82) ALDH1A1TDP1TSHRCA2HTT
Methyl Isobutyl Ketone SCHEMBL28142383 0.83 TSHR (0.59) ALDH1A1TDP1TSHRMAPK1MEN1
Butoxyethanol SCHEMBL29173943 0.82 TSHR (0.52) ALDH1A1TDP1TSHRMAPK1MEN1
Methyl Isobutyl Ketone SCHEMBL4849403 0.81 ALDH1A1 (0.61) ALDH1A1TDP1TSHRMEN1KMT2A
Methyl Isobutyl Ketone SCHEMBL6266684 0.79 ALDH1A1 (0.82) ALDH1A1TDP1TSHRCA2MMP1

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-7354521-B2 Method of fabricating inkjet print head using photocurable resin composition SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-04-08 US disclosed
US-20060060561-A1 Method of fabricating inkjet print head using photocurable resin composition SAMSUNG ELECTRONICS CO., LTD. (KR) 2006-03-23 US disclosed