SCHEMBL7699665

SCHEMBL7699665

CCOc1ccc(-c2nc(-c3cc(C=O)c(OC)c(C(=O)OC)c3OC)cs2)cc1OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
ALDH1A1 P00352 8/20 0.43
KDM4E B2RXH2 6/20 0.43
MAPT P10636 5/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
RAB9A P51151 2/20 0.42
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 2/20 0.42
FPR2 P25090 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
CDK5 Q00535 2/20 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
SCHEMBL7488200 0.91 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7701947 0.89 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7499574 0.85 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7860240 0.85 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7488187 0.79 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL29475569 0.78 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7492016 0.78 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7488190 0.75 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7489967 0.74 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6199179 0.74 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DALDH1A1

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
US-RE37556-E1 (ALKOXYPHENYL)THIAZOLE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 US disclosed
EP-1130017-A2 Azole derivatives and their use as superoxide radical inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2001-09-05 EP disclosed
US-5643932-A PREVENTS CELL DAMAGE AFTER ISCHEMIA AND RE-PERFUSION, SUBSTITUTED THIAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 US disclosed
EP-0513387-A1 ACTIVE OXYGEN INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-19 EP disclosed