Cyclohexane

Cyclohexane

SCHEMBL7797729

C1CCCCC1.O=C(O)OC1CCC(OC(=O)O)CC1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.43
CYP2C19 P33261 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
NAAA Q02083 2/20 0.36
SERPINE1 P05121 1/20 0.35
HTT P42858 2/20 0.35
FABP7 O15540 1/20 0.35
FABP5 Q01469 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
CYP19A1 P11511 2/20 0.33
KDM4E B2RXH2 1/20 0.33
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MMP1 P03956 1/20 0.32

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
SCHEMBL126557 0.94 SERPINE1 (0.38) EPHX1CYP2C19CA12CA1CA2
SCHEMBL1138479 0.94 SERPINE1 (0.38) EPHX1CYP2C19CA12CA1CA2
SCHEMBL26834 0.94 SERPINE1 (0.38) EPHX1CYP2C19CA12CA1CA2
SCHEMBL374062 0.94
SCHEMBL10874421 0.92 EPHX1 (0.52) EPHX1CYP2C19CA12CA1CA2
SCHEMBL7980877 0.92 EPHX1 (0.52) EPHX1CYP2C19CA12CA1CA2
SCHEMBL11593530 0.92 EPHX1 (0.52) EPHX1CYP2C19CA12CA1CA2
SCHEMBL1463411 0.92 EPHX1 (0.52) EPHX1CYP2C19CA12CA1CA2
SCHEMBL121265 0.92 EPHX1 (0.52) EPHX1CYP2C19CA12CA1CA2
SCHEMBL1462698 0.92 EPHX1 (0.52) EPHX1CYP2C19CA12CA1CA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0649890-B1 Heat-curable coating composition INVENTA AG (CH) 2001-08-08 EP disclosed
EP-0649890-A2 Heat-curable coating composition EMS-INVENTA AG (CH) 1995-04-26 EP disclosed