Undecane

Undecane

SCHEMBL28107197

CCCCCC.CCCCCCC.CCCCCCCC.CCCCCCCCC.CCCCCCCCCC.CCCCCCCCCCC.Cc1ccc(C)cc1.Cc1ccccc1.c1ccccc1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
TSHR P16473 1/20 0.58
ALOX12 P18054 1/20 0.58
ACHE P22303 1/20 0.58
HTT P42858 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.46
DNM1 Q05193 2/20 0.45
PCSK9 Q8NBP7 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EPHX2 P34913 1/20 0.44
PKM P14618 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
MCHR1 Q99705 1/20 0.43
KCNH2 Q12809 1/20 0.42
NAAA Q02083 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
Hexadecane SCHEMBL4950420 0.97 TSHR (0.61) LMNATSHRALOX12ACHEHTT
Octane SCHEMBL11135695 0.97 TSHR (0.61) LMNATSHRALOX12ACHEHTT
Heptane SCHEMBL6664964 0.97 TSHR (0.61) LMNATSHRALOX12ACHEHTT
Decane SCHEMBL7261270 0.97 TSHR (0.61) LMNATSHRALOX12ACHEHTT
Heptane SCHEMBL16466974 0.97 TSHR (0.61) LMNATSHRALOX12ACHEHTT
Decane SCHEMBL7111192 0.97 TSHR (0.61) LMNATSHRALOX12ACHEHTT
Dodecane SCHEMBL4946383 0.97 TSHR (0.61) LMNATSHRALOX12ACHEHTT
Octane SCHEMBL11193559 0.97 TSHR (0.61) LMNATSHRALOX12ACHEHTT
Heptane SCHEMBL7745742 0.97 TSHR (0.61) LMNATSHRALOX12ACHEHTT
Heptane SCHEMBL11509356 0.97 TSHR (0.61) LMNATSHRALOX12ACHEHTT

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
CN-106029836-A Liquid crystal alignment composition, liquid crystal alignment film and liquid crystal display element 罗利克有限公司 2016-10-12 CN disclosed