SCHEMBL12754641

SCHEMBL12754641

CC(C)COCCOCCOCCOCCOCCOCCOCCOCCOCCO

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
TSHR P16473 3/20 0.53
MAPK1 P28482 2/20 0.53
THRB P10828 1/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.31
SPHK2 Q9NRA0 1/20 0.31
SPHK1 Q9NYA1 1/20 0.31
USP2 O75604 2/20 0.30
APP P05067 2/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
CASP1 P29466 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SLCO1B3 Q9NPD5 1/20 0.30
SLCO1B1 Q9Y6L6 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
SCHEMBL940390 1.00 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL3883423 1.00 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL41796 1.00 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
Ethylene Glycol SCHEMBL28814008 0.97 MEN1 (0.55) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL27982472 0.97 MEN1 (0.55) MEN1KMT2ATSHRMAPK1THRB
Di(Hydroxyethyl)Ether SCHEMBL7893087 0.97 TSHR (0.56) MEN1KMT2ATSHRMAPK1THRB
Ethylene Glycol SCHEMBL27982516 0.95 MEN1 (0.52) MEN1KMT2ATSHRMAPK1THRB
Triethylene Glycol SCHEMBL940389 0.95 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL262494 0.95
SCHEMBL17530115 0.93 MEN1 (0.56) MEN1KMT2ATSHRMAPK1THRB

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
CN-106793781-B Compositions and methods for controlling fungal and bacterial diseases in plants 拜耳作物科学有限合伙公司 2020-07-28 CN disclosed
US-8637589-B2 Silicone prepolymer solutions JOHNSON & JOHNSON VISION CARE, INC. (US) 2014-01-28 US disclosed
US-20110077322-A1 Silicone Prepolymer Solutions TORAY INDUSTRIES, INC. (JP) 2011-03-31 US disclosed