SCHEMBL3827795

SCHEMBL3827795

CC(=O)OCOC(=O)c1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FTO Q9C0B1 10/20 0.55
▸ MAPT P10636 3/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ HTT P42858 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ HPGD P15428 2/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ RECQL P46063 1/20 0.55
▸ BLM P54132 1/20 0.55
▸ SMAD3 P84022 1/20 0.55
▸ PRMT1 Q99873 1/20 0.55
▸ ACE2 Q9BYF1 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ LMNA P02545 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ GSTP1 P09211 1/20 0.44
▸ CYP3A4 P08684 1/20 0.42
▸ KCNH2 Q12809 1/20 0.41
▸ ALOX12 P18054 2/20 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
SCHEMBL17956693 0.87 FTO (0.56) FTOMAPTMEN1HTTKMT2A
Acetic Acid SCHEMBL27527969 0.85 FTO (0.57) FTOMAPTMEN1HTTKMT2A
SCHEMBL27576029 0.85 FTO (0.62) FTOMAPTMEN1HTTKMT2A
SCHEMBL23604310 0.85 FTO (0.54) FTOMAPTMEN1HTTKMT2A
SCHEMBL14604845 0.84 FTO (0.66) FTOMAPTMEN1HTTKMT2A
SCHEMBL27853887 0.83 FTO (0.52) FTOMAPTMEN1HTTKMT2A
SCHEMBL28222145 0.83 FTO (0.62) FTOMAPTMEN1HTTKMT2A
SCHEMBL28166971 0.83 FTO (0.62) FTOMAPTMEN1HTTKMT2A
SCHEMBL23001986 0.82 FTO (0.58) FTOMAPTMEN1HTTKMT2A
SCHEMBL27891211 0.81 FTO (0.57) FTOMAPTMEN1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108601804-A Composition for preventing and treating inflammatory bowel disease 韩国科玛株式会社 2018-09-28 — — CN disclosed
EP-2094727-A2 LAMININ BINDING SITE National Blood Service (GB) 2009-09-02 — — EP disclosed
WO-2008050139-A2 LAMININ BINDING SITE NATIONAL BLOOD SERVICE (GB) 2008-05-02 — — WO disclosed
EP-0666742-A1 ADENOSINE DIPHOSPHORIBOSE POLYMERASE BINDING NITROSO AROMATIC COMPOUNDS USEFUL AS ANTI-RETROVIRAL AGENTS AND ANTI-TUMOR AGENTS OCTAMER, INC. (US) 1995-08-16 — — EP disclosed
WO-1994009776-A1 ADENOSINE DIPHOSPHORIBOSE POLYMERASE BINDING NITROSO AROMATIC COMPOUNDS USEFUL AS ANTI-RETROVIRAL AGENTS AND ANTI-TUMOR AGENTS OCTAMER, INC. (US) 1994-05-11 — — WO disclosed
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