SCHEMBL9195778

SCHEMBL9195778

O=C1OC(c2ccccc2)OC(=O)C1=Cc1cccs1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SIRT1 Q96EB6 17/20 0.54
▸ ALDH1A1 P00352 3/20 0.53
▸ HPGD P15428 2/20 0.53
▸ HTT P42858 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ MAPT P10636 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ SIRT2 Q8IXJ6 2/20 0.49
▸ SIRT5 Q9NXA8 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ L3MBTL1 Q9Y468 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
SCHEMBL28365189 0.71 MAPT (0.56) ALDH1A1HPGDHTTKMT2AMAPT
SCHEMBL9198596 0.70 ALDH1A1 (0.54) ALDH1A1HPGDHTTKMT2AMAPT
SCHEMBL21601113 0.70 SIRT1 (1.00) SIRT1ALDH1A1SIRT2SIRT5
SCHEMBL21601103 0.70 SIRT1 (1.00) SIRT1ALDH1A1SIRT2SIRT5
SCHEMBL17971664 0.69 KMT2A (1.00) ALDH1A1HPGDHTTKMT2AMAPT
SCHEMBL12204697 0.68 CYP19A1 (0.64) ALDH1A1HPGDHTTKMT2AMAPT
SCHEMBL21601054 0.68 SIRT1 (0.63) SIRT1ALDH1A1KMT2AMAPTSIRT2
SCHEMBL11964014 0.67 KMT2A (0.63) ALDH1A1HPGDHTTKMT2AMAPT
SCHEMBL28561988 0.66 KMT2A (0.69) ALDH1A1HPGDHTTKMT2AMAPT
SCHEMBL21601044 0.66 SIRT1 (1.00) SIRT1KMT2ASIRT2SIRT5

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-0578849-B1 Process for the preparation of 1,3-dioxane-4,6-dione derivates BIOGAL GYOGYSZERGYAR (HU) 1995-05-17 — — EP disclosed
EP-0578849-A1 Process for the preparation of 1,3-dioxane-4,6-dione derivates BIOGAL GYOGYSZERGYAR (HU) 1994-01-19 — — EP disclosed
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