SCHEMBL16932387

SCHEMBL16932387

CC(=O)C(C)(C)C1=C(O)C(=O)c2ccccc2C1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APAF1 O14727 2/20 0.52
▸ TDP2 O95551 2/20 0.52
▸ MAPT P10636 5/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ HSP90AA1 P07900 3/20 0.40
▸ HSP90AB1 P08238 3/20 0.40
▸ DHODH Q02127 2/20 0.39
▸ P2RX7 Q99572 3/20 0.39
▸ MCL1 Q07820 2/20 0.39
▸ PKM P14618 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ S100A4 P26447 2/20 0.39
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ MAOA P21397 2/20 0.38
▸ BCL2 P10415 1/20 0.38
▸ CDC25B P30305 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TP53 P04637 1/20 0.38

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
SCHEMBL8459324 0.81 APAF1 (0.60) APAF1TDP2MAPTALDH1A1DHODH
SCHEMBL8405065 0.75 APAF1 (0.52) APAF1TDP2MAPTALDH1A1DHODH
SCHEMBL4784189 0.74 APAF1 (0.50) APAF1TDP2MAPTALDH1A1DHODH
SCHEMBL29678361 0.71 APAF1 (1.00) APAF1TDP2MAPTALDH1A1DHODH
SCHEMBL461648 0.71 APAF1 (1.00) APAF1TDP2MAPTALDH1A1DHODH
SCHEMBL9178962 0.69 APAF1 (0.60) APAF1TDP2MAPTALDH1A1HSP90AA1
SCHEMBL17594608 0.69 HSP90AA1 (0.67) APAF1TDP2MAPTALDH1A1HSP90AA1
Anthraquinone SCHEMBL11698233 0.69 MEN1 (0.71) APAF1TDP2MAPTALDH1A1HSP90AA1
SCHEMBL20532817 0.67 APAF1 (0.89) APAF1TDP2MAPTALDH1A1HSP90AA1
Anthraquinone SCHEMBL27674413 0.67 MEN1 (0.67) APAF1TDP2MAPTALDH1A1HSP90AA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170298209-A1 USE OF A QUINONE COMPOUND IN BUILDING MATERIALS ARKION LIFE SCIENCES, LLC (US) 2017-10-19 — — US disclosed
US-20150208657-A1 USE OF QUINONE COMPOUND IN BUILDING MATERIALS ARKION LIFE SCIENCES, LLC (US) 2015-07-30 — — US disclosed
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