SCHEMBL14641983

SCHEMBL14641983

COc1cc(C2CCC2)cc(OC)c1C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.43
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
PDE4B Q07343 3/20 0.40
PDE4A P27815 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
PRKDC P78527 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
QDPR P09417 2/20 0.37
PTAFR P25105 2/20 0.37
MAPT P10636 1/20 0.36
HTR2A P28223 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 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
SCHEMBL12174445 0.94 ERN1 (0.44) ERN1PDE4BPDE4APDE4CPDE4D
SCHEMBL22103530 0.83 ERN1 (0.39) ERN1PDE4BPDE4APDE4CPDE4D
SCHEMBL24313743 0.79 HTR2A (0.42) ERN1PDE4BPDE4APDE4CPDE4D
SCHEMBL20789986 0.77 PDGFRB (0.42) PDGFRBPDGFRAPDE4BPDE4APDE4C
SCHEMBL2964491 0.76 ALDH1A1 (0.53) PDGFRBPDGFRAPDE4BPDE4APDE4C
Formic Acid SCHEMBL28266826 0.76 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DTSHR
SCHEMBL9188312 0.73 NR3C1 (0.60) PDE4BPDE4APDE4CPDE4DQDPR
SCHEMBL31528141 0.73 QDPR (0.40) PDGFRBPDGFRAPDE4BPDE4APDE4C
SCHEMBL24313632 0.72 CYP11B1 (0.43) PDE4BPDE4DLMNATSHRALDH1A1
SCHEMBL21986515 0.72 ALDH1A1 (0.38) LMNAALDH1A1KDM4ETDP1MAPT

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
US-8354402-B2 Polyarylcarboxamides useful as lipid lowering agents JANSSEN PHARMACEUTICA N.V. (BE) 2013-01-15 US disclosed