SCHEMBL20851725

SCHEMBL20851725

COc1c2cccc(O)c2c(O)c2cc(C(C)=O)oc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ MAOA P21397 6/20 0.46
▸ MAPT P10636 5/20 0.46
▸ GAA P10253 4/20 0.46
▸ ALDH1A1 P00352 4/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ ALOX12 P18054 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ KDM4C Q9H3R0 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TP53 P04637 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ STAT3 P40763 1/20 0.40

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
SCHEMBL29488 0.79 LMNA (0.50) RECQLLMNAMAOAMAPTGAA
SCHEMBL22172517 0.78 MAPT (0.36) RECQLLMNAMAOAMAPTGAA
SCHEMBL10821119 0.72 LMNA (0.52) RECQLLMNAMAPTGAAALDH1A1
SCHEMBL18384637 0.72 PDE4A (0.47) RECQLLMNAMAOAMAPTALDH1A1
SCHEMBL14656256 0.71 KDM4E (0.50) RECQLLMNAMAOAMAPTGAA
Hydrochloric Acid SCHEMBL22157868 0.70 GAA (0.37) RECQLLMNAMAPTGAAALDH1A1
SCHEMBL18384689 0.69 LMNA (0.43) RECQLLMNAMAOAMAPTGAA
SCHEMBL18384665 0.69 PDE4A (0.47) RECQLLMNAMAOAMAPTALDH1A1
SCHEMBL22261473 0.68 MAPT (0.44) RECQLLMNAMAOAMAPTGAA
SCHEMBL12526833 0.68 KDM4E (0.39) RECQLLMNAMAPTGAAALDH1A1

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-2019059344-A1 CHEMICALLY ACTIVATED WATER-SOLUBLE PRODRUG 大日本住友製薬株式会社 2019-03-28 — — WO disclosed
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