SCHEMBL14000232

SCHEMBL14000232

COC1C=CC(OC(C)=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.38
CA9 Q16790 4/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CHRM2 P08172 5/20 0.33
CHRM1 P11229 3/20 0.33
MEN1 O00255 1/20 0.33
CYP2D6 P10635 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
CHRM4 P08173 2/20 0.31
CHRM3 P20309 2/20 0.31
POLB P06746 1/20 0.31
CYP19A1 P11511 1/20 0.30
METAP2 P50579 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
SCHEMBL8354298 0.91 CA12 (0.42) CA12CA9CA1CA2CHRM2
SCHEMBL942938 0.91 CA12 (0.42) CA12CA9CA1CA2CHRM2
SCHEMBL19464089 0.83 CA12 (0.38) CA12CA9CA1CA2CHRM2
SCHEMBL2541139 0.82 CA12 (0.40) CA12CA9CA1CA2CHRM2
SCHEMBL2541143 0.82 CA12 (0.40) CA12CA9CA1CA2CHRM2
SCHEMBL8353161 0.81 CA12 (0.37) CA12CA9CA1CA2CHRM2
SCHEMBL3216165 0.81 CA12 (0.37) CA12CA9CA1CA2CHRM2
SCHEMBL8350884 0.81 CA12 (0.37) CA12CA9CA1CA2CHRM2
SCHEMBL11414567 0.80 CA12 (0.41) CA12CA9CA1CA2CHRM2
SCHEMBL11414562 0.80 CA12 (0.41) CA12CA9CA1CA2CHRM2

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
US-7455954-B2 Lithographic printing plate precursor and polymerizable composition FUJIFILM CORPORATION (JP) 2008-11-25 US disclosed