SCHEMBL6950787

SCHEMBL6950787

COc1ccc(C=O)c2cc(C(C)C)oc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.42
TSHR P16473 3/20 0.41
KDM4E B2RXH2 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
ERN1 O75460 3/20 0.39
AOX1 Q06278 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
PRKDC P78527 2/20 0.37
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL6950777 0.84 TYR (0.33) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL73726 0.81 ALDH1A1 (0.45) ALDH1A1TSHRKDM4ETDP1ERN1
SCHEMBL5722834 0.80 ALDH1A1 (0.39) ALDH1A1TSHRKDM4ETDP1ERN1
SCHEMBL5722994 0.79 ALDH1A1 (0.47) ALDH1A1KDM4EERN1HPGDHSD17B10
SCHEMBL7363046 0.78 PDE4A (0.46) ALDH1A1TSHRKDM4ETDP1PDE4A
SCHEMBL7435793 0.77 MAPT (0.60) ALDH1A1KDM4EPDE4APDE4BPDE4C
SCHEMBL7435790 0.77 MAPT (0.60) ALDH1A1KDM4EPDE4APDE4BPDE4C
SCHEMBL6837533 0.77 PDE4A (0.49) ALDH1A1KDM4EERN1PDE4APDE4B
SCHEMBL5722750 0.77 PDE4A (0.47) ALDH1A1TSHRKDM4ETDP1ERN1
SCHEMBL7406966 0.76 IMPDH2 (0.53) ALDH1A1KDM4EPDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0923568-B9 NOVEL BENZOFURAN-4-CARBOXAMIDES ALTANA PHARMA AG (DE) 2003-08-13 EP disclosed
EP-0923568-B1 NOVEL BENZOFURAN-4-CARBOXAMIDES ALTANA PHARMA AG (DE) 2002-12-11 EP disclosed
EP-0912568-B1 IMIDAZOPYRIDINES ALTANA PHARMA AG (DE) 2002-11-20 EP disclosed
US-6211203-B1 RESPIRATORY SYSTEM DISORDERS, ANTIINFLAMMATORY AGENTS, ENZYME INHIBITORS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2001-04-03 US disclosed
US-6020340-A Imidazopyridines BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-02-01 US disclosed
EP-0923568-A1 NOVEL BENZOFURAN-4-CARBOXAMIDES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1999-06-23 EP disclosed
EP-0912568-A1 NOVEL IMIDAZOPYRIDINES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1999-05-06 EP disclosed
WO-1998007715-A9 NOVEL BENZOFURAN-4-CARBOXAMIDES BYK GULDEN LOMBERG CHEM FAB (DE) 1999-04-29 WO disclosed
WO-1998007715-A1 NOVEL BENZOFURAN-4-CARBOXAMIDES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-02-26 WO disclosed
EP-0819688-A1 4-substituted benzofuranes Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1998-01-21 EP disclosed
WO-1997043288-A1 NOVEL IMIDAZOPYRIDINES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1997-11-20 WO disclosed