SCHEMBL16097477

SCHEMBL16097477

CCOCCOCc1c(Cl)cc(OCCOCC)cc1B(O)O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ NCF1 P14598 2/20 0.33
▸ FFAR1 O14842 3/20 0.32
▸ LMNA P02545 1/20 0.32
▸ THRA P10827 1/20 0.32
▸ APP P05067 1/20 0.32
▸ KDM4E B2RXH2 4/20 0.32
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ TAAR1 Q96RJ0 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ POLB P06746 1/20 0.30

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
SCHEMBL16096504 0.83 FFAR1 (0.36) NCF1FFAR1THRAAPPMEN1
SCHEMBL16104939 0.79 L3MBTL1 (0.36) L3MBTL1NCF1FFAR1LMNATHRA
SCHEMBL23264578 0.72 NCF1 (0.42) NCF1THRAAPPMEN1KMT2A
SCHEMBL15219240 0.70 NCF1 (0.49) L3MBTL1NCF1LMNATHRAAPP
SCHEMBL3631805 0.69 NCF1 (0.41) NCF1FFAR1LMNATHRAAPP
SCHEMBL16098001 0.68 FFAR1 (0.35) L3MBTL1NCF1FFAR1THRAAPP
SCHEMBL6344107 0.66 L3MBTL1 (0.47) L3MBTL1KDM4EMEN1KMT2AALDH1A1
SCHEMBL2322205 0.65 NQO1 (0.46) L3MBTL1FFAR1KDM4EMEN1KMT2A
SCHEMBL29957289 0.65 NQO1 (0.46) L3MBTL1FFAR1KDM4EMEN1KMT2A
SCHEMBL3630920 0.65 CA1 (0.48) L3MBTL1NCF1LMNATHRAAPP

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-2970339-A1 1 -HYDROXY-BENZOOXABOROLES AS ANTIPARASITIC AGENTS Eli Lilly and Company (US) 2016-01-20 — — EP disclosed
WO-2014149793-A1 1 -HYDROXY-BENZOOXABOROLES AS ANTIPARASITIC AGENTS ELI LILLY AND COMPANY (US) 2014-09-25 — — WO disclosed
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