SCHEMBL9197955

SCHEMBL9197955

COc1ccc(C=C2C(=O)OC(c3ccccc3)OC2=O)cc1OC

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 18/20 0.74
SIRT2 Q8IXJ6 2/20 0.67
SIRT5 Q9NXA8 2/20 0.67
KMT2A Q03164 2/20 0.67

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
SCHEMBL21601056 0.85 SIRT1 (1.00) SIRT1SIRT2SIRT5KMT2A
SCHEMBL30023564 0.80 SIRT1 (1.00) SIRT1SIRT2SIRT5KMT2A
SCHEMBL21601086 0.80 SIRT1 (1.00) SIRT1SIRT2SIRT5KMT2A
SCHEMBL21601169 0.80 SIRT1 (1.00) SIRT1SIRT2SIRT5KMT2A
SCHEMBL21601164 0.80 SIRT1 (1.00) SIRT1SIRT2SIRT5KMT2A
SCHEMBL21601048 0.78 SIRT1 (1.00) SIRT1SIRT2SIRT5KMT2A
SCHEMBL28941925 0.78 SIRT1 (0.69) SIRT1SIRT2SIRT5KMT2A
SCHEMBL21599135 0.77 SIRT1 (1.00) SIRT1SIRT2SIRT5KMT2A
SCHEMBL30022736 0.77 SIRT1 (1.00) SIRT1SIRT2SIRT5KMT2A
SCHEMBL9197946 0.76 KMT2A (1.00) SIRT1KMT2A

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