SCHEMBL6820516

SCHEMBL6820516

COc1ccc(-c2ccc(N3CCCC3=O)cc2CO)cc1OC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.48
PDE4A P27815 12/20 0.48
PDE4D Q08499 11/20 0.48
PDE4C Q08493 10/20 0.48
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CHEK1 O14757 1/20 0.44
POLB P06746 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) PDE4BPDE4APDE4DPDE4CMAPT
SCHEMBL7366790 0.83 PDE4B (0.55) PDE4BPDE4APDE4DPDE4CMAPT
SCHEMBL6820741 0.83 PDE4B (0.46) PDE4BPDE4APDE4DPDE4CMAPT
SCHEMBL5515479 0.76 MAPT (0.51) MAPT
SCHEMBL5758837 0.75 PDE4A (0.53) PDE4BPDE4APDE4DPDE4C
SCHEMBL8688863 0.74 LMNA (0.51) PDE4BPDE4APDE4DPDE4CMAPT
SCHEMBL8150384 0.73 PKM (0.55) MAPT
SCHEMBL7294542 0.72 MAPT (0.66) MAPTSMN1; SMN2CHEK1POLB
SCHEMBL13286265 0.70 CHEK1 (0.42) MAPTSMN1; SMN2CHEK1
SCHEMBL792262 0.70 MAPT (0.42) MAPTCHEK1

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