Cyclohexane

Cyclohexane

SCHEMBL6697980

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

nearest known ligand 0.79

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.79
TSHR P16473 3/20 0.43
THRB P10828 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
HSD17B10 Q99714 1/20 0.32
EPHX1 P07099 1/20 0.32
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
MAPT P10636 1/20 0.30
TET2 Q6N021 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30

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
Cyclohexane SCHEMBL15844071 0.97 ALDH1A1 (0.83) ALDH1A1TSHRTHRBTDP1HSD17B10
SCHEMBL8408211 0.97 ALDH1A1 (0.83) ALDH1A1TSHRTHRBTDP1HSD17B10
SCHEMBL20530993 0.97 ALDH1A1 (0.83) ALDH1A1TSHRTHRBTDP1HSD17B10
Cyclohexane SCHEMBL489150 0.97 ALDH1A1 (0.83) ALDH1A1TSHRTHRBTDP1HSD17B10
SCHEMBL5432413 0.97 ALDH1A1 (0.83) ALDH1A1TSHRTHRBTDP1HSD17B10
Methyl Alcohol SCHEMBL1272141 0.92
Methyl Alcohol SCHEMBL28988508 0.89 ALDH1A1 (0.88) ALDH1A1TSHRTHRBTDP1HSD17B10
SCHEMBL1849 0.89
SCHEMBL10636466 0.89
SCHEMBL4390490 0.89 ALDH1A1 (1.00) ALDH1A1TSHRTHRBTDP1HSD17B10

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