Undecane

Undecane

SCHEMBL28084006

CCCCCCCCCCC.Cc1cc(O)c(C(C)(C)C)cc1C(C)CC(c1cc(C(C)(C)C)c(O)cc1C)c1cc(C(C)(C)C)c(O)cc1C

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.63
TP53 P04637 3/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP3A4 P08684 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
MAPT P10636 1/20 0.37
ATP2A2 P16615 1/20 0.37
ATP2A3 Q93084 1/20 0.37
CNR1 P21554 8/20 0.36
CNR2 P34972 7/20 0.36
GAA P10253 1/20 0.33

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
SCHEMBL29367721 0.92 CYP2C9 (0.65) ALOX15TP53CYP2D6CYP2C9CYP2C19
SCHEMBL29368497 0.92 CYP2C9 (0.65) ALOX15TP53CYP2D6CYP2C9CYP2C19
SCHEMBL29359445 0.92 CYP2C9 (0.65) ALOX15TP53CYP2D6CYP2C9CYP2C19
SCHEMBL26591 0.92 CYP2C9 (0.65) ALOX15TP53CYP2D6CYP2C9CYP2C19
SCHEMBL28067567 0.90 ALOX15 (0.63) ALOX15TP53CYP2D6CYP2C9CYP2C19
Water SCHEMBL11223238 0.90 ALOX15 (0.63) ALOX15TP53CYP2D6CYP2C9CYP2C19
Water SCHEMBL11223223 0.90 ALOX15 (0.63) ALOX15TP53CYP2D6CYP2C9CYP2C19
SCHEMBL8910111 0.90 TP53 (0.52) ALOX15TP53CYP2D6CYP2C9CYP2C19
SCHEMBL11122058 0.89 ALOX15 (0.81) ALOX15TP53CYP2D6CYP2C9CYP2C19
SCHEMBL12695608 0.87 ALOX15 (0.60) ALOX15TP53CYP2D6CYP2C9CYP2C19

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-105121555-B Curable composition, cured product, method for using curable composition, optical element sealing body, and method for producing optical element sealing body 琳得科株式会社 2018-09-18 CN disclosed
CN-105705547-A Photosensitive resin composition, cured product thereof, and optical member 株式会社大赛璐 2016-06-22 CN disclosed