SCHEMBL7588587

SCHEMBL7588587

CC(O)(C1=CCCC1)C1=CCCC1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31

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
SCHEMBL9593834 0.93 ALDH1A1 (0.33) HDAC4HDAC2HDAC8HDAC6
SCHEMBL3141803 0.85
SCHEMBL7598535 0.79
SCHEMBL3145832 0.78 ALDH1A1 (0.33) HDAC4HDAC2HDAC8HDAC6
SCHEMBL10581108 0.78 HDAC4 (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11175539 0.76 ALDH1A1 (0.33) HDAC4HDAC2HDAC8HDAC6
SCHEMBL11175544 0.76 ALDH1A1 (0.33) HDAC4HDAC2HDAC8HDAC6
SCHEMBL11175541 0.76 ALDH1A1 (0.33) HDAC4HDAC2HDAC8HDAC6
SCHEMBL17222423 0.75 HDAC3 (0.31) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3676411 0.75

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
WO-2002096955-A1 RADICAL POLYMERIZATION USING TRANSFER AGENTS CONTAINING PHOSPHORUS AND SULFUR ATOFINA (FR) 2002-12-05 WO disclosed