SCHEMBL8204723

SCHEMBL8204723

COc1ccc(-c2ccccc2C)cc1OC1CCCC1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.60
PDE4B Q07343 3/20 0.55
PDE4C Q08493 3/20 0.55
PDE4D Q08499 3/20 0.55

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
SCHEMBL8483493 0.90 PDE4A (0.65) PDE4APDE4BPDE4CPDE4D
SCHEMBL12370769 0.85
SCHEMBL8478447 0.85 PDE4A (0.59) PDE4APDE4BPDE4CPDE4D
SCHEMBL5823060 0.83 PDE4A (0.77) PDE4APDE4BPDE4CPDE4D
SCHEMBL2272950 0.83
SCHEMBL8209553 0.83 PDE4A (0.56) PDE4APDE4BPDE4CPDE4D
SCHEMBL7696540 0.82 PDE4A (0.72) PDE4APDE4BPDE4CPDE4D
SCHEMBL5465021 0.82 KIT (0.60) PDE4A
SCHEMBL8206942 0.82 PDE5A (0.57) PDE4APDE4BPDE4CPDE4D
SCHEMBL8793521 0.82 PDE4A (0.60) PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6080790-A SELECTIVE AND POTENT INHIBITORS OF PHOSPHODIESTERASE IV AND ARE USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF INFLAMMATORY DISEASES AND THE ALLEVIATION OF CONDITIONS ASSOCIATED WITH CENTRAL NERVOUS MALFUNCTION CELLTECH THERAPEUTICS, LIMITED (GB) 2000-06-27 US disclosed
EP-0618889-B1 TRI-SUBSTITUTED PHENYL DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH THERAPEUTICS LTD (GB) 1998-12-30 EP disclosed
US-5674880-A ANTIINFLAMMATORY AGENT CELLTECH THERAPEUTICS LIMITED (GB) 1997-10-07 US disclosed
US-5491147-A PHOSPHODIESTERASE IV INHIBITORS CELLTECH, LIMITED (GB) 1996-02-13 US disclosed