SCHEMBL6965435

SCHEMBL6965435

COC(=O)c1ccccc1COc1ccccc1C(C)=O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.55
ALDH1A1 P00352 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 1/20 0.54
TSPO P30536 2/20 0.50
TP53 P04637 1/20 0.49
HTT P42858 1/20 0.49
MAPT P10636 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.46
SGMS2 Q8NHU3 1/20 0.46

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
SCHEMBL7157384 0.86 MAPT (0.56) LMNAALDH1A1SMN1; SMN2KDM4ETSPO
SCHEMBL9442052 0.85 L3MBTL1 (0.52) LMNAALDH1A1TSPOTP53HTT
SCHEMBL13044291 0.85 SGMS2 (0.55) LMNAALDH1A1SMN1; SMN2KDM4EHTT
SCHEMBL7820020 0.85 HTT (0.64) LMNAALDH1A1KDM4ETSPOTP53
SCHEMBL9126601 0.84 ALDH1A1 (0.58) LMNAALDH1A1SMN1; SMN2TSPOTP53
SCHEMBL14648839 0.83 LMNA (0.58) LMNAALDH1A1SMN1; SMN2KDM4EHTT
SCHEMBL6447237 0.81 ALDH1A1 (0.68) LMNAALDH1A1SMN1; SMN2KDM4ETP53
SCHEMBL14691336 0.81 ALDH1A1 (0.50) LMNAALDH1A1SMN1; SMN2TSPOTP53
SCHEMBL8278415 0.80 TP53 (0.61) LMNAALDH1A1SMN1; SMN2KDM4ETP53
SCHEMBL31123658 0.80 ALDH1A1 (0.60) LMNAALDH1A1SMN1; SMN2KDM4ETSPO

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
EP-0729465-B1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & CO (US) 2003-01-22 EP disclosed
US-6005103-A TREATMENT OF BACTERIAL AND VIRAL INFECTIONS AND DISEASES, INCLUDING AIDS WARNER-LAMBERT COMPANY (US) 1999-12-21 US disclosed
EP-0729465-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
WO-1995014013-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed