SCHEMBL7925327

SCHEMBL7925327

CCCCOc1cc(CO)ccc1OC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.48
PPARG P37231 4/20 0.44
CSNK2A1 P68400 2/20 0.42
HTT P42858 1/20 0.41
PDE4A P27815 5/20 0.40
PDE4D Q08499 5/20 0.40
PDE4B Q07343 5/20 0.40
PDE4C Q08493 4/20 0.40
MAPK1 P28482 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TNF P01375 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
NFKB1 P19838 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
SCHEMBL8846224 0.84 RECQL (0.55) RECQLCSNK2A1PDE4APDE4DPDE4B
SCHEMBL7043742 0.82 BIRC5 (0.49) PPARGHTTPDE4APDE4DPDE4B
SCHEMBL7376963 0.82 HTT (0.52) RECQLCSNK2A1HTTPDE4APDE4D
SCHEMBL134754 0.81 RECQL (0.67) RECQLCSNK2A1PDE4APDE4DPDE4B
SCHEMBL2958828 0.79 RECQL (0.60) RECQLPDE4APDE4DPDE4BPDE4C
SCHEMBL7928047 0.78 PDE4A (0.52) PDE4APDE4DPDE4BPDE4CMAPK1
SCHEMBL8845989 0.78 S1PR1 (0.49) PPARGHTT
SCHEMBL7920527 0.77 PPARG (0.37) RECQLPPARGCSNK2A1PDE4APDE4D
SCHEMBL10996676 0.76 S1PR1 (0.51) HTT
SCHEMBL8846068 0.76 S1PR1 (0.51) HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010076564-A2 ISOCHROMENONES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2010-07-08 WO disclosed