SCHEMBL10716820

SCHEMBL10716820

C=CC(=O)OC1CCCCC(OC(=O)C=C)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.41
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
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.34
CYP19A1 P11511 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
F13A1 P00488 1/20 0.33
TGM2 P21980 1/20 0.33
TGM1 P22735 1/20 0.33
TSHR P16473 4/20 0.32
ALDH1A1 P00352 3/20 0.32
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
CYP3A4 P08684 1/20 0.32
HSD17B10 Q99714 1/20 0.32
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
SCHEMBL29391721 0.98 EPHX1 (0.42) EPHX1CA12CA1CA2CA9
SCHEMBL63032 0.98 EPHX1 (0.42) EPHX1CA12CA1CA2CA9
SCHEMBL11658796 0.95 EPHX1 (0.45) EPHX1CA12CA1CA2CA9
Methane SCHEMBL8505298 0.95 EPHX1 (0.41) EPHX1CA12CA1CA2CA9
SCHEMBL645382 0.95 EPHX1 (0.45) EPHX1CA12CA1CA2CA9
SCHEMBL437640 0.95 EPHX1 (0.45) EPHX1CA12CA1CA2CA9
SCHEMBL18823067 0.95 EPHX1 (0.45) EPHX1CA12CA1CA2CA9
SCHEMBL18823065 0.95 EPHX1 (0.45) EPHX1CA12CA1CA2CA9
SCHEMBL439330 0.95 EPHX1 (0.45) EPHX1CA12CA1CA2CA9
SCHEMBL33402 0.95 EPHX1 (0.45) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62045560-A None JP disclosed
JP-62048714-A None JP disclosed
JP-S6248714-A ULTRAVIOLET-CURABLE RESIN COMPOSITION SANYO KOKUSAKU PULP CO LTD 1987-03-03 JP disclosed
JP-S6245560-A NOVEL ACRYLATE AND PRODUCTION THEREOF SANYO KOKUSAKU PULP CO LTD 1987-02-27 JP disclosed