SCHEMBL7568142

SCHEMBL7568142

CCC(S)[C@@H](NC(=O)c1ccc(OC)c(OC2CCCC2)c1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 15/20 0.64
PDE4A P27815 13/20 0.64
PDE4B Q07343 13/20 0.64
PDE4C Q08493 13/20 0.64
EPHX2 P34913 1/20 0.52
PDE5A O76074 2/20 0.52
PDE1A P54750 1/20 0.52
PDE1B Q01064 1/20 0.52
PDE1C Q14123 1/20 0.52

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
SCHEMBL7588799 0.86 PDE4A (0.62) PDE4DPDE4APDE4BPDE4CEPHX2
SCHEMBL6818677 0.81 PDE4D (0.61) PDE4DPDE4APDE4BPDE4CEPHX2
SCHEMBL6819117 0.78 PDE4D (0.62) PDE4DPDE4APDE4BPDE4CEPHX2
SCHEMBL201172 0.78 PDE4D (0.84) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL7424332 0.78 PDE4D (0.60) PDE4DPDE4APDE4BPDE4CEPHX2
SCHEMBL7512973 0.76 PDE4D (0.74) PDE4DPDE4APDE4BPDE4CEPHX2
SCHEMBL7450727 0.75 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL7450501 0.75 PDE4D (0.75) PDE4DPDE4APDE4BPDE4CEPHX2
SCHEMBL7424626 0.75 PDE4A (0.66) PDE4DPDE4APDE4BPDE4CEPHX2
SCHEMBL8323597 0.75 PDE4A (0.66) PDE4DPDE4APDE4BPDE4CEPHX2

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-1998056756-A1 CATECHOL AMINO ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CHEIL JEDANG CORPORATION (KR) 1998-12-17 WO disclosed