SCHEMBL7208066

SCHEMBL7208066

CCOc1ccc(C2CC=CCC2=O)cc1OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.44
ALDH1A1 P00352 5/20 0.42
PDE4B Q07343 4/20 0.42
PDE4C Q08493 4/20 0.42
PDE4D Q08499 4/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 3/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
TP53 P04637 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
PRNP P04156 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
BRCA1 P38398 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL7209583 0.77 ALDH1A1 (0.54) PDE4AALDH1A1KMT2AKDM4EMAPT
SCHEMBL9870226 0.71 PDE4A (0.52) PDE4AALDH1A1PDE4BPDE4CPDE4D
SCHEMBL25374055 0.70 PDE4A (0.56) PDE4AALDH1A1PDE4BPDE4CPDE4D
SCHEMBL30368356 0.70 PDE4A (0.56) PDE4AALDH1A1PDE4BPDE4CPDE4D
SCHEMBL2039633 0.68 PDE4A (0.50) PDE4AALDH1A1PDE4BPDE4CPDE4D
SCHEMBL1822961 0.68 PDE4A (0.50) PDE4AALDH1A1PDE4BPDE4CPDE4D
SCHEMBL30555650 0.67 CYP19A1 (0.38) ALDH1A1TP53L3MBTL1
SCHEMBL8270926 0.67 PDE4A (0.49) PDE4AALDH1A1PDE4BPDE4CPDE4D
SCHEMBL2041759 0.67 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL5322466 0.67 PDE4A (0.87) PDE4AALDH1A1PDE4BPDE4CPDE4D

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
EP-0882021-B1 NEW PHENANTHRIDINES ALTANA PHARMA AG (DE) 2003-03-05 EP disclosed
US-6191138-B1 THERAPY FOR RESPIRATORY SYSTEM DISORDERS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2001-02-20 US disclosed
EP-0882021-A1 NEW PHENANTHRIDINES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1998-12-09 EP disclosed
WO-1997028131-A1 NEW PHENANTHRIDINES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1997-08-07 WO disclosed