SCHEMBL7320536

SCHEMBL7320536

COc1ccc(C(C)c2ncc(Cl)cc2Cl)cc1OC1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 16/20 0.52
PDE4B Q07343 4/20 0.46
PDE4D Q08499 4/20 0.46
PDE4C Q08493 2/20 0.46

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
SCHEMBL13799356 0.76 PDE4A (0.61) PDE4APDE4BPDE4DPDE4C
SCHEMBL8688571 0.74 PDE4A (0.56) PDE4APDE4BPDE4DPDE4C
SCHEMBL8285881 0.73 PDE4A (0.59) PDE4APDE4BPDE4DPDE4C
SCHEMBL7317892 0.73 PDE4A (0.59) PDE4APDE4BPDE4DPDE4C
SCHEMBL27404854 0.73 PDE4A (0.59) PDE4APDE4BPDE4DPDE4C
SCHEMBL5610531 0.73 PDE4A (0.59) PDE4APDE4BPDE4DPDE4C
SCHEMBL7322576 0.73 PDE4A (0.55) PDE4APDE4BPDE4DPDE4C
SCHEMBL7320539 0.73 PDE4B (0.47) PDE4APDE4BPDE4DPDE4C
SCHEMBL7324436 0.73 PDE4B (0.50) PDE4APDE4BPDE4DPDE4C
SCHEMBL7324429 0.72 PDE4D (0.54) PDE4APDE4BPDE4DPDE4C

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5739144-A INHIBITORS OF PHOSPHODIESTERASE ENZYMES CELLTECH THERAPEUTICS LIMITED (GB) 1998-04-14 US claimed
US-5962483-A ANTIASTHMA AGENTS; ANTIINFLAMMATORY AGENTS CELLTECH THERAPEUTICS, LIMITED (GB) 1999-10-05 US disclosed
US-5739144-A INHIBITORS OF PHOSPHODIESTERASE ENZYMES CELLTECH THERAPEUTICS LIMITED (GB) 1998-04-14 US disclosed