SCHEMBL13637507

SCHEMBL13637507

C#CCOc1ccc(COC)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
GSTP1 P09211 1/20 0.47
CA1 P00915 1/20 0.47
CA4 P22748 1/20 0.47
CA7 P43166 1/20 0.47
MAOB P27338 8/20 0.46
MAOA P21397 6/20 0.46
ACHE P22303 1/20 0.44
APP P05067 6/20 0.42
BCHE P06276 1/20 0.41
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41

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
SCHEMBL21324729 0.87 CYP19A1 (0.55) MAOBMAOAGAA
SCHEMBL11861662 0.82 CA12 (0.49) CA12CA2CA9GSTP1CA1
SCHEMBL4817978 0.81 NR3C1 (0.46) CA12CA2CA9GSTP1CA1
SCHEMBL5704167 0.81 CA12 (0.63) CA12CA2CA9GSTP1CA1
SCHEMBL22409658 0.81 IDO1 (0.52) CA12CA2CA9GSTP1CA1
SCHEMBL19628885 0.80 CA12 (0.44) CA12CA2CA9GSTP1CA1
SCHEMBL11957481 0.80 CA12 (0.44) CA12CA2CA9GSTP1CA1
SCHEMBL7381752 0.80 CA12 (0.50) CA12CA2CA9GSTP1CA1
SCHEMBL5981846 0.79 CA12 (0.53) CA12CA2CA9GSTP1CA1
SCHEMBL31725844 0.79 CA12 (0.53) CA12CA2CA9GSTP1CA1

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-7612153-B2 conjugate polymer drugs; endcapped polyethers; nontoxic, biocompatible, non-immunogenic, soluble in water and other solvents INTEZYNE TECHNOLOGIES, INC. (US) 2009-11-03 US disclosed