SCHEMBL6820741

SCHEMBL6820741

COc1ccc(-c2ccc(N3CCCC3=O)cc2S(C)(=O)=O)cc1OC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.46
PDE4A P27815 10/20 0.46
PDE4C Q08493 8/20 0.46
PDE4D Q08499 8/20 0.46
CHEK1 O14757 1/20 0.44
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 1/20 0.42
HIF1A Q16665 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL6823038 0.83 PDE4A (0.47) PDE4BPDE4APDE4CPDE4DCHEK1
SCHEMBL7366790 0.83 PDE4B (0.55) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL6820516 0.83 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DCHEK1
SCHEMBL5758837 0.75 PDE4A (0.53) PDE4BPDE4APDE4CPDE4D
SCHEMBL7294542 0.72 MAPT (0.66) CHEK1MAPTSMN1; SMN2KMT2AHTT
SCHEMBL31525472 0.72 HTT (0.53) CHEK1MAPTSMN1; SMN2KMT2AHTT
SCHEMBL8688863 0.71 LMNA (0.51) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL5823060 0.69 PDE4A (0.77) PDE4BPDE4APDE4CPDE4D
SCHEMBL8477546 0.68 PDE4A (0.62) PDE4BPDE4APDE4CPDE4D
SCHEMBL24196349 0.68 MAPT (0.56) CHEK1MAPTSMN1; SMN2KMT2AHTT

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-2004037784-A2 PYRROLIDONES WITH ANTI-HIV ACTIVITY IRM LLC (BM) 2004-05-06 WO disclosed