Hexane

Hexane

SCHEMBL9703657

C=CC(=O)O.CCCCCC.OCC(O)CO

nearest known ligand 0.44

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
DUSP3 P51452 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GPR84 Q9NQS5 7/20 0.42
DGKA P23743 1/20 0.41
FFAR1 O14842 2/20 0.41
FFAR4 Q5NUL3 1/20 0.41
USP2 O75604 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
FAAH O00519 2/20 0.40

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
Decanoic Acid SCHEMBL30183029 0.89 FFAR4 (0.59) LMNADUSP3MEN1KMT2AGPR84
Glycerin SCHEMBL27448859 0.89 LMNA (0.43) LMNAKDM4EDUSP3MEN1KMT2A
Glycerin SCHEMBL28494348 0.89 LMNA (0.43) LMNAKDM4EDUSP3MEN1KMT2A
Acrylic Acid SCHEMBL23358840 0.89 GPR84 (0.55) LMNAKDM4EDUSP3MEN1KMT2A
Acrylic Acid SCHEMBL28858998 0.89 GPR84 (0.55) LMNAKDM4EDUSP3MEN1KMT2A
Acrylic Acid SCHEMBL5933865 0.88 GPR84 (0.44) LMNAKDM4EDUSP3MEN1KMT2A
Acrylic Acid SCHEMBL5933767 0.88 GPR84 (0.44) LMNAKDM4EDUSP3MEN1KMT2A
Acrylic Acid SCHEMBL5933664 0.88 GPR84 (0.44) LMNAKDM4EDUSP3MEN1KMT2A
Glycerin SCHEMBL116158 0.87 LMNA (0.56) LMNAUSP2
Glycerin SCHEMBL733112 0.87 LMNA (0.56) LMNAUSP2

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
EP-0222059-B1 IMPROVED RADIATION-HARDENABLE DILUENTS HENKEL CORPORATION (a Delaware corp.) (US) 1992-07-08 EP claimed
EP-0222059-A2 Improved radiation-hardenable diluents HENKEL CORPORATION (a Delaware corp.) (US) 1987-05-20 EP claimed