Decane

Decane

SCHEMBL28489012

CCCCCCCCCC.CCOC(N)=O

nearest known ligand 0.75

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.75
NAAA Q02083 1/20 0.46
DGKA P23743 1/20 0.46
FAAH O00519 3/20 0.44
CES2 O00748 3/20 0.44
CES1 P23141 3/20 0.44
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
EPHX1 P07099 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
SOAT1 P35610 1/20 0.43
LMNA P02545 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
Heptane SCHEMBL28335708 1.00 ALOX15 (0.75) ALOX15NAAADGKAFAAHCES2
Tetradecane SCHEMBL28207917 1.00 ALOX15 (0.75) ALOX15NAAADGKAFAAHCES2
Undecane SCHEMBL28879525 1.00 ALOX15 (0.75) ALOX15NAAADGKAFAAHCES2
Hexane SCHEMBL28879543 0.97 ALOX15 (0.79) ALOX15NAAADGKAFAAHCES2
Nonanol SCHEMBL29095314 0.91 ALOX15 (0.62) ALOX15NAAADGKAFAAHALDH1A1
Urethane SCHEMBL1177247 0.89
Urethane SCHEMBL28204438 0.89
Urethane SCHEMBL9771601 0.89 ALOX15 (0.65) ALOX15NAAAFAAHALDH1A1EPHX1
Pentadecanoic Acid SCHEMBL29137395 0.88 GPR84 (0.65) ALOX15ALDH1A1MEN1KMT2ACYP1A2
Dodecanoate SCHEMBL16892907 0.88 GPR84 (0.65) ALOX15ALDH1A1MEN1KMT2ACYP1A2

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-112020493-B Method for producing urethane and method for producing isocyanate 旭化成株式会社 2023-04-21 CN disclosed
CN-112020493-A Method for producing carbamate and method for producing isocyanate 旭化成株式会社 2020-12-01 CN disclosed