Sugi Predict

Sugi Predict / Compounds / Cyclohexane

Cyclohexane

Cyclohexane

SCHEMBL28302863

C1CCCCC1.O=C=NCc1ccc(CN=C=O)cc1

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 5/20 0.40
▸ TRPA1 O75762 2/20 0.40
▸ CYP3A4 P08684 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HRH3 Q9Y5N1 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
SCHEMBL21089 0.92 MIF (0.44) MIFTRPA1CYP3A4TSHRALDH1A1
SCHEMBL22471901 0.90 MIF (0.43) MIFTRPA1CYP3A4TSHRALDH1A1
Water SCHEMBL14972874 0.90 MIF (0.43) MIFTRPA1CYP3A4TSHRALDH1A1
Water SCHEMBL29040332 0.90 MIF (0.43) MIFTRPA1CYP3A4TSHRALDH1A1
SCHEMBL5466297 0.85 CYP3A4 (0.54) MIFTRPA1CYP3A4TSHRALDH1A1
SCHEMBL31094964 0.85 MIF (0.40) MIFTRPA1CYP3A4TSHRALDH1A1
SCHEMBL4023737 0.83 ALDH1A1 (0.44) ALDH1A1
SCHEMBL4022101 0.83 ALDH1A1 (0.44) ALDH1A1
SCHEMBL24833766 0.83 MIF (0.39) MIFTRPA1CYP3A4TSHRALDH1A1
SCHEMBL436823 0.83 IDO1 (0.42) MIFTRPA1CYP3A4TSHRALDH1A1

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-106432664-B The manufacturing method of multi-thioalcohol compound, polymerizable composition for optical material and application thereof 三井化学株式会社 2019-05-28 — — CN disclosed