SCHEMBL4808673

SCHEMBL4808673

CCCOc1cc(C(O)C2CCC(=O)CC2)ccc1OC

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.46
PDE4B Q07343 10/20 0.46
PDE4D Q08499 8/20 0.46
PDE4C Q08493 5/20 0.46
FDPS P14324 3/20 0.43
TNF P01375 1/20 0.40
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL661555 0.83 PDE4B (0.45) PDE4APDE4BPDE4DPDE4CHPGD
SCHEMBL4808664 0.80 PDE4A (0.43) PDE4APDE4BPDE4DPDE4CFDPS
SCHEMBL4808684 0.74 PDE4A (0.42) PDE4APDE4BPDE4DPDE4CFDPS
SCHEMBL11951574 0.72 PDE4A (0.44) PDE4APDE4BPDE4DFDPSTNF
SCHEMBL10102164 0.71 ACHE (0.36) PDE4APDE4BPDE4DPDE4CHPGD
SCHEMBL10080328 0.69 SMPD1 (0.48) PDE4APDE4BPDE4DPDE4CFDPS
SCHEMBL462345 0.69 FDPS (0.55) FDPSHPGDHSD17B10
SCHEMBL661285 0.69 PDE4D (0.46) PDE4APDE4BPDE4DPDE4C
SCHEMBL10107050 0.68 ESR2 (0.44) PDE4APDE4BPDE4DPDE4C
SCHEMBL7333971 0.68 SMPD1 (0.50) PDE4APDE4BPDE4DPDE4CFDPS

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-2008124878-A1 NON-STEROIDAL COMPOUNDS CRYPTOPHARMA PTY LTD (AU) 2008-10-23 WO disclosed