SCHEMBL7477234

SCHEMBL7477234

COc1ccc(C(=O)NCC(N)=O)cc1OC1CCCC1

nearest known ligand 0.82

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 14/20 0.82
PDE4A P27815 12/20 0.82
PDE4B Q07343 12/20 0.82
PDE4C Q08493 12/20 0.82
EPHX2 P34913 3/20 0.66
PDE5A O76074 1/20 0.59
PDE1A P54750 1/20 0.59
PDE1B Q01064 1/20 0.59
PDE1C Q14123 1/20 0.59

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
SCHEMBL7458162 0.88 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CEPHX2
SCHEMBL7423009 0.86 PDE4D (0.76) PDE4DPDE4APDE4BPDE4CEPHX2
SCHEMBL19075717 0.85 PDE4A (0.74) PDE4DPDE4APDE4BPDE4CEPHX2
SCHEMBL19083721 0.85 PDE4D (0.74) PDE4DPDE4APDE4BPDE4CEPHX2
SCHEMBL15595277 0.84 KMT2A (0.68) PDE4DPDE4APDE4BPDE4C
SCHEMBL28884189 0.83 PDE4D (0.67) PDE4DPDE4APDE4BPDE4CEPHX2
SCHEMBL7423857 0.82 PDE4D (0.82) PDE4DPDE4APDE4BPDE4CEPHX2
SCHEMBL4728938 0.82 PDE4B (0.80) PDE4DPDE4APDE4BPDE4C
SCHEMBL9272637 0.81 PDE4B (0.65) PDE4DPDE4APDE4BPDE4CEPHX2
SCHEMBL5309884 0.80 PDE4D (0.67) PDE4DPDE4APDE4BPDE4CPDE5A

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