Dodecane

Dodecane

SCHEMBL28655501

CCC(C)c1ccccc1.CCCCCCCCCCCC

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.50
TRPA1 O75762 3/20 0.48
HTR2A P28223 1/20 0.47
SLC7A5 Q01650 1/20 0.46
AOC3 Q16853 2/20 0.45
ASAH1 Q13510 2/20 0.45
ALDH1A1 P00352 1/20 0.45
ACER2 Q5QJU3 1/20 0.45
LMNA P02545 1/20 0.45
NAAA Q02083 2/20 0.45
RIPK1 Q13546 1/20 0.44
KCNH2 Q12809 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
SCHEMBL17453236 0.89 TAAR1 (0.61) TAAR1TRPA1SLC7A5AOC3ALDH1A1
SCHEMBL136376 0.89 TAAR1 (0.61) TAAR1TRPA1SLC7A5AOC3ALDH1A1
SCHEMBL4443642 0.89 TAAR1 (0.61) TAAR1TRPA1SLC7A5AOC3ALDH1A1
Benzene SCHEMBL5290987 0.89 TAAR1 (0.61) TAAR1TRPA1SLC7A5AOC3ALDH1A1
Hydrogen Peroxide SCHEMBL190109 0.86 TRPA1 (0.61) TAAR1TRPA1SLC7A5AOC3ALDH1A1
Hydrogen Peroxide SCHEMBL11692595 0.86 TRPA1 (0.61) TAAR1TRPA1SLC7A5AOC3ALDH1A1
Ammonia Solution, Strong SCHEMBL6014467 0.86 TAAR1 (0.58) TAAR1TRPA1SLC7A5AOC3ALDH1A1
Methane SCHEMBL28848997 0.86 TAAR1 (0.58) TAAR1TRPA1SLC7A5AOC3ALDH1A1
SCHEMBL31498533 0.86 TAAR1 (0.58) TAAR1TRPA1SLC7A5AOC3ALDH1A1
Water SCHEMBL27860324 0.86 TAAR1 (0.58) TAAR1TRPA1SLC7A5AOC3ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118325878-A Monoterpene synthase mutant and application thereof 中国科学院天津工业生物技术研究所 2024-07-12 CN disclosed
CN-116064639-A Monoterpene synthase, genetically engineered strain and application thereof 中国科学院天津工业生物技术研究所 2023-05-05 CN disclosed
CN-115725638-A Monoterpene production genetic engineering strain and application thereof 中国科学院天津工业生物技术研究所 2023-03-03 CN disclosed
CN-113774079-A Recombinant saccharomyces cerevisiae and construction method and application thereof 中国科学院天津工业生物技术研究所 2021-12-10 CN disclosed