SCHEMBL29474908

SCHEMBL29474908

COc1cc(-c2nc3ccccc3s2)ccc1OCCCCOc1ccc2ccc(=O)oc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 1/20 0.55
▸ PPARA Q07869 1/20 0.55
▸ HDAC1 Q13547 1/20 0.54
▸ HDAC2 Q92769 1/20 0.54
▸ HDAC8 Q9BY41 1/20 0.54
▸ HDAC6 Q9UBN7 1/20 0.54
▸ SMN1; SMN2 Q16637 7/20 0.48
▸ TP53 P04637 6/20 0.48
▸ MAPT P10636 5/20 0.48
▸ KDM4E B2RXH2 4/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ HPGD P15428 2/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ GLA P06280 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ PPARG P37231 1/20 0.48
▸ NCOA2 Q15596 1/20 0.48

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
SCHEMBL29474930 0.99 HDAC1 (0.56) PPARDPPARAHDAC1HDAC2HDAC8
SCHEMBL29474925 0.99 HDAC1 (0.56) PPARDPPARAHDAC1HDAC2HDAC8
SCHEMBL29474912 0.98 PPARD (0.57) PPARDPPARAHDAC1HDAC2HDAC8
SCHEMBL29474926 0.97 PPARD (0.54) PPARDPPARAHDAC1HDAC2HDAC8
SCHEMBL29474935 0.88 PPARD (0.54) PPARDPPARAHDAC1HDAC2HDAC8
SCHEMBL29474909 0.88 ATP4A (0.53) SMN1; SMN2KDM4ERAB9ANPC1MEN1
SCHEMBL29474915 0.87 PPARD (0.54) PPARDPPARAHDAC1HDAC2HDAC8
SCHEMBL29474917 0.87 PPARD (0.54) PPARDPPARAHDAC1HDAC2HDAC8
SCHEMBL29474918 0.87 ATP4A (0.53) SMN1; SMN2KDM4ERAB9ANPC1MEN1
SCHEMBL29474927 0.87 ATP4A (0.53) SMN1; SMN2KDM4ERAB9ANPC1MEN1

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
CN-109897031-B Benzothiazole derivative containing coumarin group and preparation method and application thereof 南京农业大学 2022-03-15 — — CN claimed
CN-109897031-B Benzothiazole derivative containing coumarin group and preparation method and application thereof 南京农业大学 2022-03-15 — — CN disclosed
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