SCHEMBL8675291

SCHEMBL8675291

COc1cc(C=CC(C)=O)ccc1OCC(O)CNC(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.61
APP P05067 3/20 0.57
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
PTGES O14684 1/20 0.50
NFE2L2 Q16236 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL29426332 1.00 FDPS (0.61) FDPSAPPKMT2AMEN1PTGES
SCHEMBL29711664 0.88 FDPS (0.64) FDPSKMT2AMEN1NFE2L2KDM4E
SCHEMBL8674631 0.86 FDPS (0.62) FDPSAPPKMT2AMEN1PTGES
SCHEMBL7682835 0.83 NFE2L2 (0.54) FDPSKMT2AMEN1NFE2L2KDM4E
SCHEMBL3440495 0.83 MAPT (0.64) KMT2AMEN1KDM4EALDH1A1
SCHEMBL30383352 0.83 MAPT (0.64) KMT2AMEN1KDM4EALDH1A1
SCHEMBL3440494 0.83 MAPT (0.64) KMT2AMEN1KDM4EALDH1A1
SCHEMBL8438167 0.78 TSHR (0.56) KMT2AMEN1KDM4E
SCHEMBL8676376 0.78 KDM4E (0.50) KMT2AMEN1KDM4EALDH1A1
SCHEMBL11022622 0.77 FDPS (0.65) FDPSKMT2AMEN1NFE2L2KDM4E

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-5804603-A ADMINISTERING AS HYPOTENSIVE AGENTS; SIDE EFFECT REDUCTION; TOXICITY; LOWERS BLOOD PRESSURE. NATIONAL SCIENCE COUNCIL (TW) 1998-09-08 US disclosed