SCHEMBL7960396

SCHEMBL7960396

CCOc1cc2c(cc1OCC)[C@H]1CCCC[C@H]1N=C2c1cccc(C(=O)OC)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.47
PDE4B Q07343 2/20 0.47
PDE4A P27815 1/20 0.47
PDE4C Q08493 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.41
PDE7A Q13946 2/20 0.38
CREBBP Q92793 1/20 0.38
POLB P06746 1/20 0.37
PIK3CA P42336 1/20 0.37
CDK8 P49336 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NEK1 Q96PY6 1/20 0.36
AXL P30530 1/20 0.36
CPT2 P23786 1/20 0.35
CPT1A P50416 1/20 0.35
S1PR1 P21453 1/20 0.35
SYK P43405 1/20 0.35

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
SCHEMBL5056761 0.90 PDE4D (0.42) PDE4DPDE4BPDE4APDE4CL3MBTL1
SCHEMBL7206486 0.89 PDE4D (0.56) PDE4DPDE4BPDE4APDE4CCREBBP
SCHEMBL7958772 0.89 PDE4D (0.56) PDE4DPDE4BPDE4APDE4CCREBBP
SCHEMBL7206484 0.89 PDE4D (0.56) PDE4DPDE4BPDE4APDE4CCREBBP
SCHEMBL2044860 0.85 PDE4D (0.49) PDE4DPDE4BPDE4APDE4CPDE7A
SCHEMBL7211003 0.84 PDE4D (0.69) PDE4DPDE4BPDE4APDE4CPDE7A
SCHEMBL7211005 0.84 PDE4D (0.69) PDE4DPDE4BPDE4APDE4CPDE7A
Hydrochloric Acid SCHEMBL8387939 0.84 PDE4D (0.68) PDE4DPDE4BPDE4APDE4CL3MBTL1
Hydrochloric Acid SCHEMBL8387934 0.84 PDE4D (0.68) PDE4DPDE4BPDE4APDE4CL3MBTL1
SCHEMBL2882721 0.81 PDE4D (0.58) PDE4DPDE4BPDE4APDE4CRAB9A

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-6191138-B1 THERAPY FOR RESPIRATORY SYSTEM DISORDERS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2001-02-20 US disclosed