SCHEMBL8977206

SCHEMBL8977206

CCCN(C(=O)Cl)C1CCCCC1C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
ADH1C P00326 1/20 0.33
EPHX1 P07099 1/20 0.32
S1PR3 Q99500 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL8977212 0.86 EPHX1 (0.34) CA1EPHX1S1PR3SMN1; SMN2
Hydrochloric Acid SCHEMBL27343326 0.81 EPHX1 (0.39) ADH1ACA12CA1CA9ADH1C
SCHEMBL8034863 0.78 ADH1A (0.46) ADH1AADH1C
SCHEMBL8041770 0.77 ADH1A (0.47) ADH1AADH1C
SCHEMBL8903152 0.77 ADH1A (0.47) ADH1AADH1C
SCHEMBL25086865 0.74 ADH1A (0.31) ADH1AADH1C
SCHEMBL7786917 0.74 SLC6A4 (0.36) ADH1ACA12CA9ADH1C
SCHEMBL8977205 0.72 CA12 (0.37) ADH1ACA12CA9ADH1C
SCHEMBL12339137 0.72 L3MBTL1 (0.34) EPHX1S1PR3
SCHEMBL8977208 0.72 EPHX1 (0.38) CA1EPHX1S1PR3SMN1; SMN2

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-0708097-A1 Herbicidally active tetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1996-04-24 EP disclosed