SCHEMBL8270626

SCHEMBL8270626

CC(C)=C(Nc1ccccc1)[C@H](CCCCCC(=O)NO)NC(=O)NCCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 12/20 0.52
▸ HDAC2 Q92769 10/20 0.52
▸ HDAC6 Q9UBN7 11/20 0.49
▸ HDAC11 Q96DB2 7/20 0.49
▸ HDAC8 Q9BY41 7/20 0.49
▸ HDAC3 O15379 6/20 0.49
▸ HDAC10 Q969S8 6/20 0.49
▸ HDAC4 P56524 6/20 0.49
▸ HDAC9 Q9UKV0 6/20 0.49
▸ HDAC7 Q8WUI4 5/20 0.49
▸ HDAC5 Q9UQL6 5/20 0.49
▸ NCOR2 Q9Y618 2/20 0.49
▸ CNR1 P21554 1/20 0.45

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
SCHEMBL13288525 0.89 HDAC2 (0.56) HDAC1HDAC2HDAC6HDAC11HDAC8
SCHEMBL13288496 0.83 HDAC2 (0.59) HDAC1HDAC2HDAC6HDAC11HDAC8
SCHEMBL8271626 0.79 HDAC2 (0.54) HDAC1HDAC2HDAC6HDAC11HDAC8
SCHEMBL8270647 0.79 HDAC2 (0.57) HDAC1HDAC2HDAC6HDAC11HDAC8
SCHEMBL13288526 0.77 HDAC2 (0.52) HDAC1HDAC2HDAC6HDAC11HDAC8
SCHEMBL13288519 0.75 HDAC1 (0.64) HDAC1HDAC2HDAC6HDAC11HDAC8
SCHEMBL27659688 0.73 CNR1 (0.48) HDAC1HDAC2HDAC6HDAC11HDAC8
SCHEMBL8270611 0.73 HDAC2 (0.60) HDAC1HDAC2HDAC6HDAC11HDAC8
SCHEMBL13288534 0.72 HDAC1 (0.63) HDAC1HDAC2HDAC6HDAC11HDAC8
SCHEMBL8271583 0.72 HDAC2 (0.68) HDAC1HDAC2HDAC6HDAC11HDAC8

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-2006017216-A1 HISTONE DEACETYLASE INHIBITORS MERCK & CO., INC. (US) 2006-02-16 — — WO disclosed
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