SCHEMBL22540554

SCHEMBL22540554

CC(=O)OC1CCCCCCCCCC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.52
NAAA Q02083 2/20 0.47
HTT P42858 1/20 0.46
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
CYP19A1 P11511 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CHRM2 P08172 3/20 0.38
CHRM4 P08173 3/20 0.38
CHRM1 P11229 3/20 0.38
CHRM3 P20309 3/20 0.38
CHRM5 P08912 2/20 0.38
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
MMP12 P39900 1/20 0.38

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
SCHEMBL31570134 1.00 EPHX1 (0.52) EPHX1NAAAHTTCA12CA1
SCHEMBL11098598 1.00 EPHX1 (0.52) EPHX1NAAAHTTCA12CA1
SCHEMBL1695496 1.00 EPHX1 (0.52) EPHX1NAAAHTTCA12CA1
SCHEMBL5167284 1.00 EPHX1 (0.52) EPHX1NAAAHTTCA12CA1
SCHEMBL23018499 1.00 EPHX1 (0.52) EPHX1NAAAHTTCA12CA1
SCHEMBL200090 1.00 EPHX1 (0.52) EPHX1NAAAHTTCA12CA1
SCHEMBL23506964 1.00 EPHX1 (0.52) EPHX1NAAAHTTCA12CA1
SCHEMBL19063411 1.00 EPHX1 (0.52) EPHX1NAAAHTTCA12CA1
SCHEMBL93396 1.00 EPHX1 (0.52) EPHX1NAAAHTTCA12CA1
SCHEMBL30601812 1.00 EPHX1 (0.52) EPHX1NAAAHTTCA12CA1

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-3485003-B1 PROCESS FOR RECOVERING VIRAL PRODUCTS USING FUNCTIONALISED CHROMATOGRAPHY MEDIA PURIDIFY LTD (GB) 2020-10-14 EP disclosed