Cyclohexane

Cyclohexane

SCHEMBL28939325

C1CCCCC1.Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.73

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.73
ESR1 P03372 3/20 0.54
ESR2 Q92731 3/20 0.54
PTGS1 P23219 2/20 0.50
NQO2 P16083 1/20 0.50
PTGS2 P35354 1/20 0.50
P4HB P07237 1/20 0.47
CYP1A1 P04798 1/20 0.47
CYP1B1 Q16678 1/20 0.47
TSHR P16473 3/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
ORAI1 Q96D31 1/20 0.46
ORAI2 Q96SN7 1/20 0.46
ORAI3 Q9BRQ5 1/20 0.46
TRPV6 Q9H1D0 1/20 0.46
MGLL Q99685 1/20 0.46

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
SCHEMBL57109 0.92 KIF11 (0.84) KIF11ESR1ESR2PTGS1NQO2
SCHEMBL28039722 0.89 KIF11 (0.80) KIF11ESR1ESR2PTGS1NQO2
SCHEMBL27509291 0.89 KIF11 (0.80) KIF11ESR1ESR2PTGS1NQO2
Potassium SCHEMBL30655561 0.89 KIF11 (0.80) KIF11ESR1ESR2PTGS1NQO2
SCHEMBL11756670 0.89 KIF11 (0.80) KIF11ESR1ESR2PTGS1NQO2
Hydrochloric Acid SCHEMBL29242575 0.89 KIF11 (0.80) KIF11ESR1ESR2PTGS1NQO2
Hydrochloric Acid SCHEMBL18955872 0.89 KIF11 (0.80) KIF11ESR1ESR2PTGS1NQO2
SCHEMBL678508 0.84 KIF11 (1.00) KIF11ESR1ESR2PTGS1NQO2
SCHEMBL12675678 0.84 KIF11 (1.00) KIF11ESR1ESR2PTGS1NQO2
Phenol SCHEMBL28745379 0.82 KIF11 (0.70) KIF11ESR1ESR2PTGS1NQO2

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-114380740-A Synthesis method of polysubstituted pyridine-2-oxygen ether compound 江阴苏利化学股份有限公司 2022-04-22 CN disclosed