SCHEMBL8567718

SCHEMBL8567718

COc1ccc(CCNS(C)(=O)=O)cc1OC1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA5A P35218 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
PDE4B Q07343 4/20 0.53
HTT P42858 2/20 0.51
APOBEC3A P31941 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
RECQL P46063 1/20 0.50
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
EPHX1 P07099 1/20 0.49
PDE4A P27815 2/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48

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
SCHEMBL6156635 0.84 SMN1; SMN2 (0.75) SMN1; SMN2CA12CA1CA2CA5A
SCHEMBL7359707 0.83 POLB (0.68) PDE4BRECQLLMNAKMT2AMEN1
SCHEMBL8571660 0.81 KMT2A (0.61) CA12CA1CA2CA9PDE4B
SCHEMBL8570021 0.81 MEN1 (0.61) CA12CA1CA2CA9PDE4B
SCHEMBL15898811 0.80 PDE4B (0.54) PDE4BRECQLPDE4APDE4CPDE4D
SCHEMBL7396306 0.79 MEN1 (0.58) CA12CA1CA2CA9PDE4B
SCHEMBL7361467 0.79 MEN1 (0.58) CA12CA1CA2CA9PDE4B
SCHEMBL6816260 0.79 KMT2A (0.58) CA12CA1CA2CA9PDE4B
SCHEMBL8571467 0.79 MEN1 (0.58) CA12CA1CA2CA9PDE4B
SCHEMBL23509400 0.78 PTGS2 (0.50) SMN1; SMN2CA12CA1CA2CA5A

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-5710180-A TREATING ALLERGIC AND INFLAMMATORY DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1998-01-20 US disclosed