SCHEMBL28577167

SCHEMBL28577167

O=C(OOC(=O)OC1CCCCCCCCC1)OC1CCCCCCCCC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.50
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CYP2C19 P33261 1/20 0.44
NAAA Q02083 2/20 0.42
HTT P42858 1/20 0.41
CYP19A1 P11511 4/20 0.39
MMP9 P14780 2/20 0.38
MMP12 P39900 2/20 0.38
MMP1 P03956 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
FABP7 O15540 1/20 0.37
FABP5 Q01469 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MMP2 P08253 1/20 0.37

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
SCHEMBL35537 1.00 EPHX1 (0.50) EPHX1CA12CA1CA2CA9
SCHEMBL3879303 1.00 EPHX1 (0.50) EPHX1CA12CA1CA2CA9
SCHEMBL31098383 0.97 EPHX1 (0.46) EPHX1CA12CA1CA2CA9
SCHEMBL1095875 0.91 EPHX1 (0.44) EPHX1CA12CA1CA2CA9
SCHEMBL11505538 0.91 EPHX1 (0.44) EPHX1CA12CA1CA2CA9
SCHEMBL29060849 0.91 EPHX1 (0.44) EPHX1CA12CA1CA2CA9
SCHEMBL5025863 0.90 EPHX1 (0.47) EPHX1CA12CA1CA2CA9
SCHEMBL13387598 0.89 EPHX1 (0.60) EPHX1CA12CA1CA2CA9
SCHEMBL8426647 0.89 EPHX1 (0.60) EPHX1CA12CA1CA2CA9
SCHEMBL11589654 0.89 EPHX1 (0.60) EPHX1CA12CA1CA2CA9

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
CN-108463509-B Silicon-containing curable composition and cured product thereof 株式会社艾迪科 2021-06-18 CN disclosed