SCHEMBL31359577

SCHEMBL31359577

COc1ccc(C(=O)C(OC(C)=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.64
POLB P06746 2/20 0.64
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
ALDH1A1 P00352 4/20 0.63
CYP3A4 P08684 1/20 0.63
NPSR1 Q6W5P4 1/20 0.59
GAA P10253 1/20 0.51
CYP1A2 P05177 1/20 0.49
CES2 O00748 2/20 0.48
CES1 P23141 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
MAPK1 P28482 1/20 0.47
PARP1 P09874 1/20 0.46
PARP10 Q53GL7 1/20 0.46
PARP2 Q9UGN5 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
SCHEMBL10773785 0.83 ALDH1A1 (0.63) MAPTPOLBNPC1RAB9AMEN1
SCHEMBL4709268 0.83 MAPK1 (0.52) MAPTPOLBNPC1RAB9AMEN1
SCHEMBL19222625 0.83 MAPT (0.59) MAPTPOLBNPC1RAB9AMEN1
SCHEMBL9128620 0.82 MAPT (0.55) MAPTPOLBNPC1RAB9AMEN1
SCHEMBL14384221 0.81 MAPT (0.58) MAPTPOLBNPC1RAB9AMEN1
SCHEMBL3098560 0.81 MAPT (0.58) MAPTPOLBNPC1RAB9AMEN1
SCHEMBL31359582 0.79 TDP1 (0.58) MAPTPOLBNPC1RAB9AMEN1
SCHEMBL13204575 0.79 POLB (0.55) MAPTPOLBNPC1RAB9AMEN1
SCHEMBL11535689 0.79 MAPT (0.55) MAPTPOLBNPC1RAB9AMEN1
SCHEMBL3368374 0.78 ALDH1A1 (0.69) MAPTPOLBNPC1RAB9AMEN1

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
CN-119263946-A Preparation method of alpha-acyloxyketone compound 华南师范大学 2025-01-07 CN disclosed