SCHEMBL21753673

SCHEMBL21753673

O=C(OC1=CCCC1)C(=COCCO)C1=CCCC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33

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
SCHEMBL28545797 0.81 HDAC4 (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27524497 0.79 HDAC4 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27885247 0.78 HDAC4 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29066043 0.75 HDAC4 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5500941 0.73 HDAC3 (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17363822 0.72 HDAC4 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8452722 0.71 HDAC4 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8455961 0.71 HDAC4 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL560662 0.70 HDAC4 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9066614 0.70 HDAC4 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2

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
US-12077617-B2 Tire having a composition comprising an ethylene-rich elastomer, a peroxide and a specific acrylate derivative COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2024-09-03 US disclosed
EP-3840960-B1 TYRE HAVING A COMPOSITION COMPRISING AN ETHYLENE-RICH ELASTOMER, A PEROXIDE AND A SPECIFIC ACRYLATE DERIVATIVE MICHELIN & CIE (FR) 2022-10-05 EP disclosed
US-20210332168-A1 TIRE HAVING A COMPOSITION COMPRISING AN ETHYLENE-RICH ELASTOMER, A PEROXIDE AND A SPECIFIC ACRYLATE DERIVATIVE COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2021-10-28 US disclosed
EP-3840960-A1 TYRE HAVING A COMPOSITION COMPRISING AN ETHYLENE-RICH ELASTOMER, A PEROXIDE AND A SPECIFIC ACRYLATE DERIVATIVE COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2021-06-30 EP disclosed
WO-2020038761-A1 TYRE HAVING A COMPOSITION COMPRISING AN ETHYLENE-RICH ELASTOMER, A PEROXIDE AND A SPECIFIC ACRYLATE DERIVATIVE COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2020-02-27 WO disclosed