SCHEMBL13972986

SCHEMBL13972986

C=C/C=C(\C=C(C)C)OC1CCCC1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
EPHX1 P07099 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
SCHEMBL14492389 0.78 CA12 (0.31) CA12CA1CA2CA9EPHX1
SCHEMBL19980164 0.71 NAAA (0.43) EPHX1
SCHEMBL27593606 0.70 EPHX1 (0.41) CA12CA1CA2CA9EPHX1
SCHEMBL12688224 0.69
SCHEMBL12308217 0.67 CA12 (0.38) CA12CA1CA2CA9EPHX1
SCHEMBL21093320 0.66
SCHEMBL17056346 0.64 EPHX1 (0.31) EPHX1
SCHEMBL14623431 0.64
SCHEMBL20725605 0.63 CA12 (0.34) CA12CA1CA2CA9EPHX1
SCHEMBL14536366 0.63 EPHX1 (0.37) CA12CA1CA2CA9EPHX1

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-2014285-A1 NPYY5 antagonists Shionogi&Co., Ltd. (JP) 2009-01-14 EP disclosed