SCHEMBL29026685

SCHEMBL29026685

CCCCCC(C)CCO[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.42
CA1 P00915 2/20 0.37
ALDH1A1 P00352 2/20 0.36
OPRM1 P35372 1/20 0.34
TP53 P04637 1/20 0.32
LMNA P02545 1/20 0.32
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH4 P08319 1/20 0.32
ADH7 P40394 1/20 0.32
CA2 P00918 1/20 0.32
PRKD3 O94806 1/20 0.31
PRKCG P05129 1/20 0.31
PRKCB P05771 1/20 0.31
PRKCA P17252 1/20 0.31
PRKCH P24723 1/20 0.31
PRKCI P41743 1/20 0.31
PRKCE Q02156 1/20 0.31
PRKCQ Q04759 1/20 0.31

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
SCHEMBL11058855 0.86 TSHR (0.34) ALDH1A1
Hexadecane SCHEMBL28233258 0.83 ALDH1A1 (0.42) CA1ALDH1A1LMNAADH1BADH1C
SCHEMBL11059074 0.83 ACE2 (0.39) ACE2CA1ALDH1A1OPRM1TP53
SCHEMBL11055222 0.80 ALDH1A1 (0.34) ALDH1A1
Hexadecane SCHEMBL27925858 0.80 ALDH1A1 (0.39) ACE2CA1ALDH1A1OPRM1ADH1B
SCHEMBL11058053 0.79 ACE2 (0.40) ACE2CA1ALDH1A1OPRM1ADH1B
SCHEMBL44076 0.78
SCHEMBL8460569 0.77 ALDH1A1 (0.37) ACE2CA1ALDH1A1CA2
SCHEMBL9542975 0.76 ALDH1A1 (0.50) CA1ALDH1A1CA2
SCHEMBL36624 0.76 ALDH1A1 (0.50) CA1ALDH1A1CA2

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-116376120-A Degradable starch foaming buffer material and preparation method thereof 中国科学院长春应用化学研究所 2023-07-04 CN claimed
CN-116376120-A Degradable starch foaming buffer material and preparation method thereof 中国科学院长春应用化学研究所 2023-07-04 CN disclosed