SCHEMBL7209583

SCHEMBL7209583

CCOc1ccc(C2CCCCC2=O)cc1OCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
MAPT P10636 3/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
KDM4E B2RXH2 2/20 0.45
KMT2A Q03164 2/20 0.45
PDE4A P27815 2/20 0.44
APOBEC3G Q9HC16 1/20 0.43
HTT P42858 2/20 0.42
LMNA P02545 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GPR174 Q9BXC1 1/20 0.42
ALPL P05186 1/20 0.40
ALPI P09923 1/20 0.40
ALPG P10696 1/20 0.40
TP53 P04637 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
PRNP P04156 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
SCHEMBL11844345 0.82 PDE4A (0.51) ALDH1A1MAPTCYP1A2CYP2C9KDM4E
SCHEMBL4129415 0.81 PDE4A (0.50) ALDH1A1MAPTCYP1A2CYP2C9KDM4E
SCHEMBL11534052 0.80 SMN1; SMN2 (0.46) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL6404794 0.79 SMN1; SMN2 (0.47) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL18422425 0.79 PDE4A (0.56) ALDH1A1MAPTKMT2APDE4AMEN1
SCHEMBL31615321 0.79 APP (0.52) ALDH1A1MAPTKMT2APDE4AMEN1
SCHEMBL7208066 0.77 PDE4A (0.44) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL28890937 0.77 PDE4B (0.43) ALDH1A1MAPTCYP1A2CYP2C9PDE4A
SCHEMBL7419187 0.76 PDE4B (0.66) ALDH1A1MAPTCYP1A2CYP2C9KDM4E
SCHEMBL29613171 0.76 PDE4A (0.45) PDE4A

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