Methane

Methane

SCHEMBL28201404

C.NCCCCC(NO)C(=O)O

nearest known ligand 0.56

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.56
GSR P00390 1/20 0.52
RNPEP Q9H4A4 1/20 0.50
SLC6A5 Q9Y345 1/20 0.47
CPB2 Q96IY4 9/20 0.46
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
SLC15A2 Q16348 1/20 0.40
GNPAT O15228 1/20 0.40
CYP2D6 P10635 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL48406 0.98 FOLH1 (0.58) FOLH1GSRRNPEPSLC6A5CPB2
SCHEMBL48407 0.98 FOLH1 (0.58) FOLH1GSRRNPEPSLC6A5CPB2
SCHEMBL1054672 0.98 FOLH1 (0.58) FOLH1GSRRNPEPSLC6A5CPB2
Hydrochloric Acid SCHEMBL4067569 0.96 FOLH1 (0.56) FOLH1GSRRNPEPSLC6A5CPB2
Hydrochloric Acid SCHEMBL16732003 0.96 FOLH1 (0.56) FOLH1GSRRNPEPSLC6A5CPB2
Hydrochloric Acid SCHEMBL4067567 0.96 FOLH1 (0.56) FOLH1GSRRNPEPSLC6A5CPB2
Ammonia Solution, Strong SCHEMBL6151757 0.96 FOLH1 (0.56) FOLH1GSRRNPEPSLC6A5CPB2
Acetic Acid SCHEMBL5031583 0.92 FOLH1 (0.53) FOLH1GSRRNPEPSLC6A5CPB2
SCHEMBL472937 0.91 FOLH1 (0.50) FOLH1GSRRNPEPSLC6A5CPB2
SCHEMBL472934 0.91 FOLH1 (0.50) FOLH1GSRRNPEPSLC6A5CPB2

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-104086633-B Short fatty acid tail polymyxin derivatives and application thereof 北方抗生素有限公司 2018-02-09 CN disclosed