SCHEMBL8748848

SCHEMBL8748848

COc1ccc(NC(=O)c2ccccc2C(=O)O)cc1OC1CCCC1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 12/20 0.67
PDE4B Q07343 9/20 0.67
PDE4A P27815 8/20 0.67
PDE4C Q08493 8/20 0.67
POLB P06746 1/20 0.64
PDE5A O76074 3/20 0.59
PDE1A P54750 1/20 0.59
PDE1B Q01064 1/20 0.59
PDE1C Q14123 1/20 0.59
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
HTT P42858 1/20 0.51

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
SCHEMBL7415951 0.91 POLB (0.64) PDE4DPDE4BPDE4APDE4CPOLB
SCHEMBL7413887 0.91 PDE5A (0.67) PDE4DPDE4BPDE4APDE4CPOLB
SCHEMBL7423277 0.87 PDE4D (0.78) PDE4DPDE4BPDE4APDE4CPOLB
SCHEMBL8211635 0.86 PDE5A (0.59) PDE4DPDE4BPDE4APDE4CPOLB
SCHEMBL12189396 0.85 KMT2A (0.69) KMT2AMEN1HTT
SCHEMBL4347187 0.85 PDE4D (0.66) PDE4DPDE4BPDE4APDE4CPOLB
SCHEMBL7415380 0.84 HTT (0.76) PDE4DPDE4BPDE4APDE4CPOLB
SCHEMBL8197050 0.82 PDE4D (0.82) PDE4DPDE4BPDE4APDE4CPOLB
SCHEMBL8185285 0.81 SMN1; SMN2 (0.74) PDE4DPDE4BPDE4APDE4CPOLB
SCHEMBL7340175 0.80 PDE4D (1.00) PDE4DPDE4BPDE4APDE4CPDE5A

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
EP-0607373-B1 TRISUBSTITUTED PHENYL DERIVATIVES AS SELECTIVE PHOSPHODIESTERASE IV INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 1997-03-19 EP disclosed
US-5550137-A Phenylaminocarbonyl derivatives CELLTECH THERAPEUTICS LIMITED (GB) 1996-08-27 US disclosed