Cyclohexane

Cyclohexane

SCHEMBL6696695

C1CCCCC1.C=CC(=O)OC.CO

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
TSHR P16473 8/20 0.38
HPGD P15428 1/20 0.37
ALDH1A1 P00352 8/20 0.36
TP53 P04637 3/20 0.36
HIF1A Q16665 3/20 0.36
CYP3A4 P08684 2/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
TGM2 P21980 1/20 0.31
KDM4E B2RXH2 1/20 0.31
THRB P10828 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
Acrylic Acid Methyl Ester SCHEMBL29280950 1.00 HCAR2 (0.46) HCAR2KEAP1NFE2L2TSHRHPGD
Acrylic Acid Methyl Ester SCHEMBL29212937 0.97 HCAR2 (0.48) HCAR2KEAP1NFE2L2TSHRHPGD
Acrylic Acid Methyl Ester SCHEMBL8408215 0.97 HCAR2 (0.48) HCAR2KEAP1NFE2L2TSHRHPGD
Acrylic Acid Methyl Ester SCHEMBL6915690 0.97 HCAR2 (0.48) HCAR2KEAP1NFE2L2TSHRHPGD
Acrylic Acid Methyl Ester SCHEMBL27729557 0.97
Cyclohexane SCHEMBL16179835 0.97 HCAR2 (0.48) HCAR2KEAP1NFE2L2TSHRHPGD
Acrylic Acid Methyl Ester SCHEMBL28164468 0.95 HCAR2 (0.46) HCAR2KEAP1NFE2L2TSHRHPGD
Acrylic Acid Methyl Ester SCHEMBL4663460 0.92
Acrylic Acid Methyl Ester SCHEMBL27440045 0.89
Acrylic Acid Methyl Ester SCHEMBL7645157 0.89 HCAR2 (0.56) HCAR2KEAP1NFE2L2TSHRHPGD

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-20040171732-A1 Water based resin composition method for producing the same and its applications TOAGOSEI CO., LTD (JP) 2004-09-02 US disclosed