SCHEMBL9278461

SCHEMBL9278461

CC(C)Oc1cc(C(=O)Cc2c(Cl)cncc2Cl)ccc1OCF

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 15/20 0.63
PDE4A P27815 8/20 0.42
PDE4B Q07343 6/20 0.42
PDE4C Q08493 5/20 0.42
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
ABCB11 O95342 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
SCHEMBL6858835 0.89 PDE4D (0.63) PDE4DPDE4APDE4BPDE4CABCB11
SCHEMBL6858838 0.88 PDE4D (0.81) PDE4DPDE4APDE4BPDE4C
SCHEMBL1030283 0.82 PDE4D (0.67) PDE4DPDE4APDE4BPDE4CABCB11
SCHEMBL6858726 0.82 PDE4D (0.60) PDE4DPDE4APDE4BPDE4C
SCHEMBL7340773 0.79 PDE4D (0.76) PDE4DPDE4APDE4BPDE4C
SCHEMBL1031648 0.78 PDE4D (0.80) PDE4DPDE4APDE4BPDE4CABCB11
SCHEMBL1026961 0.78 PDE4D (1.00) PDE4DPDE4APDE4BPDE4C
SCHEMBL7356316 0.78 PDE4D (0.60) PDE4DPDE4APDE4BPDE4CABCB11
SCHEMBL70307 0.77 PDE4D (0.51) PDE4DPDE4APDE4BPDE4C
SCHEMBL8554187 0.77 PDE4D (0.73) PDE4DPDE4APDE4BPDE4C

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-0652868-A1 INHIBITORS OF c-AMP PHOSPHODIESTERASE AND TNF RHONE-POULENC RORER LIMITED (GB) 1995-05-17 EP disclosed
WO-1994002465-A1 INHIBITORS OF c-AMP PHOSPHODIESTERASE AND TNF RHONE-POULENC RORER LIMITED (GB) 1994-02-03 WO disclosed