SCHEMBL9313681

SCHEMBL9313681

Oc1ccc(C2CCCCC2)cc1C=[Ce]

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACMSD Q8TDX5 2/20 0.53
▸ ESR2 Q92731 3/20 0.49
▸ HDAC4 P56524 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ QDPR P09417 4/20 0.42
▸ BACE1 P56817 2/20 0.41
▸ KMO O15229 1/20 0.39
▸ EPHX2 P34913 1/20 0.36
▸ NUDT1 P36639 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ PDK2 Q15119 1/20 0.35

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
Hydrochloric Acid SCHEMBL1630000 0.98 ACMSD (0.51) ACMSDESR2HDAC4HDAC2HDAC8
SCHEMBL9375064 0.83 ESR2 (0.69) ACMSDESR2HDAC4HDAC2HDAC8
SCHEMBL5209908 0.80 ACMSD (0.50) ACMSDESR2HDAC4HDAC2HDAC8
SCHEMBL5209914 0.80 ACMSD (0.50) ACMSDESR2HDAC4HDAC2HDAC8
SCHEMBL68815 0.77 QDPR (0.66) ACMSDHDAC4HDAC2HDAC8QDPR
SCHEMBL13072706 0.77 ACMSD (0.57) ACMSDESR2HDAC4HDAC2HDAC8
SCHEMBL30215678 0.77 ACMSD (0.57) ACMSDESR2HDAC4HDAC2HDAC8
SCHEMBL21630424 0.77 ACMSD (0.57) ACMSDESR2HDAC4HDAC2HDAC8
SCHEMBL7932026 0.76 ACMSD (0.61) ACMSDESR2HDAC4HDAC2HDAC8
SCHEMBL1291751 0.75 QDPR (0.68) ACMSDESR2HDAC4HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5283294-A Crystalline polymer in rubber elastomer THE GOODYEAR TIRE & RUBBER COMPANY (US) 1994-02-01 — — US disclosed
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