Sugi Predict

Sugi Predict / Compounds / Cyclohexene

Cyclohexene

Cyclohexene

SCHEMBL28217402

C(OCC1CO1)C1CO1.C1=CCCCC1.CCCCCC(O)O

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TSHR P16473 2/20 0.36
▸ MAPK1 P28482 1/20 0.33
▸ ENPP2 Q13822 1/20 0.33
▸ LPAR2 Q9HBW0 1/20 0.33
▸ PDK1 Q15118 1/20 0.32

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
SCHEMBL28090239 0.89 ALDH1A1 (0.58) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
SCHEMBL37927 0.89 ALDH1A1 (0.58) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
SCHEMBL1002078 0.88 ALDH1A1 (0.61) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
Methane SCHEMBL28018349 0.88 ALDH1A1 (0.56) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
SCHEMBL28002716 0.85 ALDH1A1 (0.53) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
Ethylene Glycol SCHEMBL28953527 0.85 ALDH1A1 (0.53) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
Propylene Oxide SCHEMBL8468509 0.85 ALDH1A1 (0.53) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
SCHEMBL20595266 0.85 ALDH1A1 (0.60) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
SCHEMBL28103766 0.84 ALDH1A1 (0.51) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
1,6-Hexanediol SCHEMBL28268562 0.82 ALDH1A1 (0.54) ALDH1A1TDP1SMN1; SMN2TSHR

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-107960093-A Smears and gas barrier film 凸版印刷株式会社 2018-04-24 — — CN disclosed