SCHEMBL7322708

SCHEMBL7322708

COc1ccc(C(=O)c2ccncc2)cc1OC1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.60
PDE4D Q08499 12/20 0.60
PDE4A P27815 11/20 0.60
PDE4C Q08493 10/20 0.60
MAPK14 Q16539 1/20 0.58
PDE5A O76074 1/20 0.55
S1PR1 P21453 1/20 0.54
S1PR3 Q99500 1/20 0.54

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
SCHEMBL27472680 0.91 PDE4D (0.68) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL72993 0.90 PDE4B (0.60) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL4162765 0.87 PDE5A (0.70) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL7910791 0.87 ALDH1A1 (0.68) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL7909156 0.87 PDE4B (0.61) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL6881789 0.86 PDE4D (0.60) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL6586713 0.85 PDE4D (0.59) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL8769611 0.84 PDE4A (0.54) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL4825142 0.83 PDE4B (0.55) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL5072124 0.83 CYP1A2 (0.76)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0626939-B1 TRI-SUBSTITUTED PHENYL DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 2001-11-07 EP disclosed
EP-0626957-B1 STYRIL DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH THERAPEUTICS LTD (GB) 1999-03-03 EP disclosed
US-5622977-A ANTIINFLAMMATORY AGENT, ANTIALLERGENS CELLTECH THERAPEUTICS LIMITED (GB) 1997-04-22 US disclosed
US-5580888-A Styryl derivatives as anti-inflammatory agents CELLTECH THERAPEUTICS LIMITED (GB) 1996-12-03 US disclosed
EP-0626957-A1 STYRIL DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH THERAPEUTICS LIMITED (GB) 1994-12-07 EP disclosed
WO-1994014800-A1 STYRIL DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH LIMITED (GB) 1994-07-07 WO disclosed