SCHEMBL10940643

SCHEMBL10940643

COc1ccc(-c2ccc3c(c2O)C(=O)c2cc(I)cc(O)c2C3=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 2/20 0.55
▸ HDAC4 P56524 2/20 0.47
▸ HDAC2 Q92769 2/20 0.47
▸ HDAC8 Q9BY41 2/20 0.47
▸ ME2 P23368 1/20 0.44
▸ ME1 P48163 1/20 0.44
▸ ME3 Q16798 1/20 0.44
▸ ELANE P08246 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ GSK3B P49841 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ GRK6 P43250 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ GFER P55789 1/20 0.41

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
SCHEMBL10937755 0.85 ACLY (0.56) ACLYHDAC4HDAC2HDAC8ME2
SCHEMBL11122148 0.84 HDAC4 (0.62) ACLYHDAC4HDAC2HDAC8ME2
SCHEMBL10939753 0.84 ACLY (0.55) ACLYHDAC4HDAC2HDAC8ME2
SCHEMBL10936706 0.84 ACLY (0.55) ACLYHDAC4HDAC2HDAC8ME2
SCHEMBL10940628 0.82 HDAC4 (0.53) ACLYHDAC4HDAC2HDAC8ME2
SCHEMBL11119370 0.81 HDAC4 (0.59) ACLYHDAC4HDAC2HDAC8ELANE
SCHEMBL10937241 0.76 HDAC4 (0.53) ACLYHDAC4HDAC2HDAC8ME2
SCHEMBL10936340 0.76 HDAC4 (0.53) ACLYHDAC4HDAC2HDAC8ME2
SCHEMBL10935780 0.76 HDAC4 (0.53) ACLYHDAC4HDAC2HDAC8ME2
SCHEMBL11401528 0.72 ACLY (0.50) ACLYHDAC4HDAC2HDAC8ME2

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-4532069-A For electro-optical display elements MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1985-07-30 — — US disclosed
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