SCHEMBL4739367

SCHEMBL4739367

O=C(c1ccc(Oc2ccccc2)cc1)N1CCc2cc(O)c(O)cc2C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.62
CA2 P00918 5/20 0.62
CA7 P43166 5/20 0.62
CA9 Q16790 5/20 0.62
CA14 Q9ULX7 5/20 0.62
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
F2 P00734 1/20 0.57
PLG P00747 1/20 0.57
PRSS1 P07477 1/20 0.57
PRSS2 P07478 1/20 0.57
PRSS3 P35030 1/20 0.57
ST14 Q9Y5Y6 1/20 0.57
ABCB1 P08183 2/20 0.53
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
HSP90AA1 P07900 2/20 0.49
HSP90AB1 P08238 2/20 0.49

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
SCHEMBL4741254 0.90 CA1 (0.53) CA1CA2CA7CA9CA14
SCHEMBL4785416 0.78 KMT2A (0.59) CA1CA2CA7CA9CA14
SCHEMBL3052857 0.78 PDE4B (0.69) CA1CA2CA7CA9CA14
SCHEMBL5125288 0.77 KMT2A (0.68) CA1CA2CA7CA9CA14
SCHEMBL8103530 0.76 CA1 (0.64) CA1CA2CA7CA9CA14
SCHEMBL16523572 0.76 STS (0.59) CA1CA2CA7CA9CA14
SCHEMBL8239825 0.75 CA1 (0.72) CA1CA2CA7CA9CA14
SCHEMBL7893969 0.75 KMT2A (0.85) CA1CA2CA7CA9CA14
SCHEMBL3056380 0.74 CA1 (0.68) CA1CA2CA7CA9CA14
SCHEMBL16523571 0.74 CA1 (0.61) CA1CA2CA7CA9CA14

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
WO-2008095852-A1 BRONCHORELAXING ARYLAMIDES RESPIRATORIUS AB (SE) 2008-08-14 WO disclosed