Cyclohexanol

Cyclohexanol

SCHEMBL9692875

O=C(O)C(=O)O.OC1CCCCC1

nearest known ligand 0.62

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Known targets — ChEMBL curated mechanism

OPRM1SLC6A4

The experimentally established mechanism targets of Cyclohexanol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.62
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
EPHX1 P07099 6/20 0.38
ALDH1A1 P00352 4/20 0.38
NPC1 O15118 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 2/20 0.38
EPHX2 P34913 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 1/20 0.38
CYP3A4 P08684 1/20 0.38
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
TAAR1 Q96RJ0 1/20 0.34
HTT P42858 1/20 0.33
GAA P10253 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
Oxalic Acid SCHEMBL27778416 0.97 TSHR (0.67) TSHRCES2CES1EPHX1ALDH1A1
Oxalic Acid SCHEMBL28391280 0.97 TSHR (0.67) TSHRCES2CES1EPHX1ALDH1A1
Cyclohexanol SCHEMBL30598077 0.90 TSHR (0.67) TSHRCES2CES1EPHX1ALDH1A1
Cyclohexanol SCHEMBL241715 0.90 TSHR (0.67) TSHRCES2CES1EPHX1ALDH1A1
Cyclopentanol SCHEMBL11102072 0.87 TSHR (0.71) TSHRCES2CES1EPHX1ALDH1A1
Cyclohexanol SCHEMBL9474284 0.87
Cyclohexanol SCHEMBL868909 0.85 TSHR (0.59) TSHRCES2CES1EPHX1ALDH1A1
Acetic Acid SCHEMBL6048336 0.85 TSHR (0.59) TSHRCES2CES1EPHX1ALDH1A1
Cyclohexanol SCHEMBL9019529 0.85 TSHR (0.59) TSHRCES2CES1EPHX1ALDH1A1
SCHEMBL23121456 0.83 TSHR (0.91) TSHRCES2CES1EPHX1ALDH1A1

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
US-5171478-A Doping with organic acids or salts; electroconductive ALLIED-SIGNAL INC. (US) 1992-12-15 US disclosed