SCHEMBL5014635

SCHEMBL5014635

O=COC(=O)OC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.44
CYP2C19 P33261 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
NAAA Q02083 2/20 0.38
HTT P42858 1/20 0.37
CYP19A1 P11511 3/20 0.35
MMP9 P14780 2/20 0.34
MMP12 P39900 2/20 0.34
MMP1 P03956 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
FABP7 O15540 1/20 0.33
FABP5 Q01469 1/20 0.33
MMP2 P08253 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
STS P08842 1/20 0.33

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
SCHEMBL5011343 1.00 EPHX1 (0.44) EPHX1CYP2C19CA12CA1CA2
SCHEMBL8426647 0.81 EPHX1 (0.60) EPHX1CYP2C19CA12CA1CA2
SCHEMBL984315 0.81 EPHX1 (0.60) EPHX1CYP2C19CA12CA1CA2
SCHEMBL11589654 0.81 EPHX1 (0.60) EPHX1CYP2C19CA12CA1CA2
SCHEMBL8991654 0.81 EPHX1 (0.60) EPHX1CYP2C19CA12CA1CA2
SCHEMBL13387598 0.81 EPHX1 (0.60) EPHX1CYP2C19CA12CA1CA2
SCHEMBL37472 0.81 EPHX1 (0.60) EPHX1CYP2C19CA12CA1CA2
SCHEMBL1439730 0.81 EPHX1 (0.44) EPHX1CYP2C19CA12CA1CA2
SCHEMBL319201 0.81 EPHX1 (0.42) EPHX1CYP2C19CA12CA1CA2
SCHEMBL73234 0.81 EPHX1 (0.44) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1967520-A2 Production of polyketides and other natural products Biotica Technology Limited (GB) 2008-09-10 EP disclosed