SCHEMBL18311411

SCHEMBL18311411

O=c1c(O)ccc(-c2cccc(-c3ccccc3)c2)cc1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.63
▸ ACMSD Q8TDX5 3/20 0.59
▸ APP P05067 2/20 0.59
▸ HDAC2 Q92769 2/20 0.57
▸ HDAC4 P56524 1/20 0.57
▸ HDAC8 Q9BY41 1/20 0.57
▸ HNF4A P41235 2/20 0.53
▸ DHFR P00374 1/20 0.53
▸ MCL1 Q07820 1/20 0.53
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ USP2 O75604 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ HSP90AA1 P07900 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ ALOX15 P16050 1/20 0.52

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
SCHEMBL18311412 0.96 ALOX5 (0.68) ALOX5ACMSDAPPHDAC2HDAC4
SCHEMBL18311410 0.96 ALOX5 (0.68) ALOX5ACMSDAPPHDAC2HDAC4
SCHEMBL20854606 0.79 HDAC4 (0.50) ALOX5ACMSDHDAC2HDAC4HDAC8
SCHEMBL28134269 0.79 ALOX5 (0.91) ALOX5ACMSDAPPHNF4ADHFR
SCHEMBL928289 0.78 ALOX5 (1.00) ALOX5ACMSDAPPHNF4ADHFR
SCHEMBL29848221 0.78 ALOX5 (1.00) ALOX5ACMSDAPPHNF4ADHFR
Formaldehyde SCHEMBL28374238 0.77 ALOX5 (0.86) ALOX5ACMSDAPPHDAC2HDAC4
SCHEMBL21471507 0.77 HDAC4 (0.69) ALOX5ACMSDAPPHDAC2HDAC4
Bicarbonate SCHEMBL11789771 0.77 ALOX5 (0.86) ALOX5ACMSDAPPHDAC2HDAC4
SCHEMBL18311419 0.77 HDAC4 (0.49) ALOX5ACMSDHDAC2HDAC4HDAC8

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
EP-3307256-B1 HYDROXYLATED TROPOLONE INHIBITORS OF NUCLEOTIDYL TRANSFERASES IN HERPESVIRUS AND HEPATITIS B UNIV SAINT LOUIS (US) 2023-06-07 — — EP disclosed
WO-2016201243-A1 HYDROXYLATED TROPOLONE INHIBITORS OF NUCLEOTIDYL TRANSFERASES IN HERPESVIRUS AND HEPATITS B AND USES THEREFOR SAINT LOUIS UNIVERSITY (US) 2016-12-15 — — WO disclosed
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