SCHEMBL4557487

SCHEMBL4557487

O=C(CC=CO)C1=CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 4/20 0.46
HDAC4 P56524 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
CTSK P43235 1/20 0.41
HDAC1 Q13547 3/20 0.39
HDAC3 O15379 2/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
CCR2 P41597 1/20 0.33
GSTP1 P09211 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32

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
SCHEMBL323973 0.80 HDAC2 (0.47) HDAC2HDAC4HDAC8HDAC6CTSK
SCHEMBL13039628 0.77 HDAC2 (0.55) HDAC2HDAC4HDAC8HDAC6CTSK
SCHEMBL10653198 0.75 HDAC2 (0.53) HDAC2HDAC4HDAC8HDAC6CTSK
SCHEMBL9593862 0.74 HDAC4 (0.48) HDAC2HDAC4HDAC8HDAC6CTSK
SCHEMBL28244702 0.74 HDAC4 (0.46) HDAC2HDAC4HDAC8HDAC6CTSK
SCHEMBL11465198 0.73 HDAC2 (0.52) HDAC2HDAC4HDAC8HDAC6CTSK
SCHEMBL3936517 0.73 HDAC2 (0.52) HDAC2HDAC4HDAC8HDAC6CTSK
SCHEMBL7435726 0.73 HDAC2 (0.52) HDAC2HDAC4HDAC8HDAC6CTSK
SCHEMBL19314152 0.73 HDAC2 (0.52) HDAC2HDAC4HDAC8HDAC6CTSK
SCHEMBL11359675 0.70 HDAC2 (0.48) HDAC2HDAC4HDAC8HDAC6CTSK

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-2046708-A2 PROCESS FOR EPIMERISING CYCLOHEXENYL KETONES AND ITS APPLICATION IN ALDOL CONDENSATION PROCESS The Procter and Gamble Company (US) 2009-04-15 EP claimed
WO-2008012758-A2 PROCESS FOR EPIMERISING CYCLOHEXENYL KETONES AND ITS APPLICATION IN ALDOL CONDENSATION PROCESS THE PROCTER & GAMBLE COMPANY (US) 2008-01-31 WO claimed