SCHEMBL7053201

SCHEMBL7053201

CCc1cc2c(C(=O)O)ccc(OC)c2o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.60
PDE4B Q07343 6/20 0.60
PDE4C Q08493 6/20 0.60
PDE4D Q08499 6/20 0.60
SLC22A12 Q96S37 7/20 0.47
KDM4E B2RXH2 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL11752418 0.89 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL6605574 0.87 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7052318 0.87 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL3924757 0.87 KDM4E (0.49) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7050225 0.85 PDE4D (0.62) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL3931673 0.84 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL3922215 0.83 PPARG (0.44) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL1287513 0.82 SLC22A12 (0.67) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL7365432 0.81 PDE4D (0.43) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL73952 0.81 ALDH1A1 (0.47) PDE4APDE4BPDE4CPDE4DKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0901482-B1 BENZOFURAN CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2003-05-02 EP disclosed
US-5925636-A Benzofuran carboxamides and their therapeutic use DARWIN DISCOVERY LIMITED (GB) 1999-07-20 US disclosed
EP-0901482-A1 BENZOFURAN CARBOXAMIDES AND THEIR THERAPEUTIC USE Darwin Discovery Limited (GB) 1999-03-17 EP disclosed
US-5773467-A Benzofuran sulphonanmides CHIROSCIENCE, LTD. (GB) 1998-06-30 US disclosed
WO-1997044337-A1 BENZOFURAN CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LIMITED (GB) 1997-11-27 WO disclosed