Cyclohexane

Cyclohexane

SCHEMBL29035562

C1CCCCC1.[N-]=[N+]=Nc1ccccc1

nearest known ligand 0.49

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 4/20 0.49
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ CA5A P35218 1/20 0.42
▸ CA5B Q9Y2D0 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP51A1 Q16850 2/20 0.36
▸ NOX1 Q9Y5S8 1/20 0.35
▸ SMO Q99835 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ CA4 P22748 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ PSMB8 P28062 1/20 0.33
▸ VCP P55072 1/20 0.33

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
SCHEMBL13475909 0.92 — —
Benzene SCHEMBL28456073 0.92 PTGS2 (0.48) PTGS2CYP2D6CYP2C19CA1CA2
SCHEMBL17289458 0.90 PTGS2 (0.47) PTGS2CYP2D6CYP2C19CA1CA2
Phosphine SCHEMBL29065184 0.90 PTGS2 (0.47) PTGS2CYP2D6CYP2C19CA1CA2
Fluoride SCHEMBL27800819 0.90 PTGS2 (0.47) PTGS2CYP2D6CYP2C19CA1CA2
Fluoride SCHEMBL28295332 0.90 PTGS2 (0.47) PTGS2CYP2D6CYP2C19CA1CA2
Ethylene SCHEMBL27892935 0.87 PTGS2 (0.46) PTGS2CYP2D6CYP2C19CA1CA2
Cyclohexanone SCHEMBL28839585 0.86 PTGS2 (0.45) PTGS2CYP2D6CYP2C19CA1CA2
Formaldehyde SCHEMBL27489743 0.85 CA1 (0.47) PTGS2CYP2D6CYP2C19CA1CA2
Propane SCHEMBL23922782 0.83 PTGS2 (0.56) PTGS2CYP2D6CYP2C19CA1CA2

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-109716491-B Method for manufacturing field effect transistor and method for manufacturing wireless communication device 东丽株式会社 2023-06-09 — — CN disclosed
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