SCHEMBL8690767

SCHEMBL8690767

COc1ccc(C=Cc2ncccc2CCc2ccccc2)cc1OC1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 15/20 0.47
PDE4B Q07343 8/20 0.45
PDE4D Q08499 6/20 0.45
PDE4C Q08493 5/20 0.45
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL6888660 0.82 PDE4A (0.51) PDE4APDE4BPDE4DPDE4C
SCHEMBL8688573 0.80 PDE4A (0.50) PDE4APDE4BPDE4DPDE4CMEN1
SCHEMBL7390717 0.80 PDE4A (0.53) PDE4APDE4BPDE4DPDE4C
SCHEMBL8692223 0.79 PDE4A (0.48) PDE4APDE4BPDE4DPDE4C
SCHEMBL1388242 0.78 PDE4A (0.54) PDE4APDE4BPDE4DPDE4C
SCHEMBL1388244 0.78 PDE4A (0.54) PDE4APDE4BPDE4DPDE4C
SCHEMBL8481926 0.78 PDE4B (0.55) PDE4APDE4BPDE4DPDE4C
SCHEMBL7391724 0.77 PDE4A (0.52) PDE4APDE4BPDE4DPDE4CKMT2A
SCHEMBL7317214 0.77 CYP19A1 (0.51) PDE4APDE4BPDE4DPDE4C
SCHEMBL5190936 0.76 PDE4A (0.56) PDE4APDE4BPDE4DPDE4C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5786354-A Tri-substituted phenyl derivatives and processes for their preparation CELLTECH THERAPEUTICS, LIMITED (GB) 1998-07-28 US claimed
US-5786354-A Tri-substituted phenyl derivatives and processes for their preparation CELLTECH THERAPEUTICS, LIMITED (GB) 1998-07-28 US disclosed