Cyclohexane

Cyclohexane

SCHEMBL9842969

C1CCCCC1.Nc1cncn1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.59

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATIC P31939 3/20 0.59
FBP1 P09467 2/20 0.59
TAS1R3 Q7RTX0 4/20 0.57
TAS1R1 Q7RTX1 4/20 0.57
P2RY2 P41231 3/20 0.57
DNPH1 O43598 2/20 0.57
PRKAB2 O43741 1/20 0.57
TRPM2 O94759 1/20 0.57
LDHA P00338 1/20 0.57
ADRB2 P07550 1/20 0.57
SRC P12931 1/20 0.57
ADORA1 P30542 1/20 0.57
P2RY1 P47900 1/20 0.57
PRKAG1 P54619 1/20 0.57
PRKAA2 P54646 1/20 0.57
PDE4D Q08499 1/20 0.57
KCNH2 Q12809 1/20 0.57
PRKAA1 Q13131 1/20 0.57
PDE3A Q14432 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57

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
SCHEMBL29136140 0.96 ATIC (0.62) ATICFBP1TAS1R3TAS1R1P2RY2
SCHEMBL188235 0.96 ATIC (0.62) ATICFBP1TAS1R3TAS1R1P2RY2
SCHEMBL19876125 0.96 ATIC (0.62) ATICFBP1TAS1R3TAS1R1P2RY2
SCHEMBL9240378 0.89 FBP1 (0.55) ATICFBP1TAS1R3TAS1R1P2RY2
Perflexane SCHEMBL7515566 0.88 ATIC (0.54) ATICFBP1TAS1R3TAS1R1P2RY2
SCHEMBL8346987 0.87 FBP1 (0.53) ATICFBP1TAS1R3TAS1R1P2RY2
Ethylbenzene SCHEMBL1553799 0.87 FBP1 (0.52) ATICFBP1TAS1R3TAS1R1P2RY2
SCHEMBL2936680 0.78 ATIC (0.54) ATICFBP1TAS1R3TAS1R1P2RY2
SCHEMBL15670883 0.76 LMNA (0.56) ADORA1SMN1; SMN2
SCHEMBL3851144 0.76 LMNA (0.56) ADORA1SMN1; SMN2

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-5047352-A Selective chemical detection by energy modulation of sensors ARCH DEVELOPMENT CORPORATION (US) 1991-09-10 US disclosed