SCHEMBL4701737

SCHEMBL4701737

CCc1ccc2c(C(=O)O)ccc(OC)c2n1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.61
PDE4A P27815 6/20 0.61
PDE4C Q08493 6/20 0.61
PDE4D Q08499 6/20 0.61
PDE3A Q14432 1/20 0.49
PDE10A Q9Y233 1/20 0.47
TDP1 Q9NUW8 2/20 0.42
MAPT P10636 1/20 0.42
KDM4A O75164 1/20 0.41
CDC25B P30305 1/20 0.40
PARP1 P09874 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 1/20 0.39
PDE11A Q9HCR9 1/20 0.38

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
SCHEMBL1554332 0.89 PDE4B (0.50) PDE4BPDE4APDE4CPDE4DPDE3A
SCHEMBL3120368 0.89 PDE4B (0.61) PDE4BPDE4APDE4CPDE4DPDE3A
SCHEMBL2840403 0.87 PDE4B (0.60) PDE4BPDE4APDE4CPDE4DPDE3A
SCHEMBL4698717 0.87 PDE4B (0.63) PDE4BPDE4APDE4CPDE4DPDE3A
SCHEMBL13354257 0.85 PDE4B (0.57) PDE4BPDE4APDE4CPDE4DPDE3A
SCHEMBL2846822 0.82 PDE4B (0.57) PDE4BPDE4APDE4CPDE4DPDE3A
SCHEMBL2848106 0.81 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DPDE3A
SCHEMBL3899046 0.81 PDE4B (0.58) PDE4BPDE4APDE4CPDE4DPDE10A
SCHEMBL10721784 0.81 KDM4A (0.60) PDE4BPDE4APDE4CPDE4DKDM4A
SCHEMBL10645034 0.77 ALDH1A1 (0.56) PDE4BPDE4APDE4CPDE4DPDE3A

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-0952832-B1 QUINOLINE CARBOXAMIDES AS TNF INHIBITORS AND AS PDE-IV INHIBITORS DARWIN DISCOVERY LTD (GB) 2008-08-27 EP disclosed
CN-1148189-C Quinoline carboxamides as TNF inhibitors and as PDC-IV inhibitors ������������� 2004-05-05 CN disclosed
EP-0952832-A1 QUINOLINE CARBOXAMIDES AS TNF INHIBITORS AND AS PDE-IV INHIBITORS Darwin Discovery Limited (GB) 1999-11-03 EP disclosed
CN-1219131-A Quinoline carboxamides as TNF inhibitors and as PDC-IV inhibitors DARWIN DISCOVERY CO LTD (GB) 1999-06-09 CN disclosed
US-5804588-A TREATING DISEASES THAT ARE MODULATED BY INHIBITION OF PHOSPHODIESTERASE IV OR TUMOUR NECROSIS FACTOR CHIROSCIENCE LIMITED (GB) 1998-09-08 US disclosed
WO-1997044036-A1 QUINOLINE CARBOXAMIDES AS TNF INHIBITORS AND AS PDE-IV INHIBITORS DARWIN DISCOVERY LIMITED (GB) 1997-11-27 WO disclosed