SCHEMBL12283039

SCHEMBL12283039

C=C(/C=C\C(=C/C)C(F)(F)F)CN1CCCn2cc(C(=O)NO)cc2C1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 11/20 0.38
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC8 Q9BY41 2/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC5 Q9UQL6 1/20 0.36

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
SCHEMBL16852214 0.74 HDAC6 (0.50) HDAC6HDAC1HDAC8HDAC3HDAC7
SCHEMBL12210564 0.66 HDAC6 (0.52) HDAC6HDAC1HDAC8HDAC3HDAC7
SCHEMBL12286460 0.66 HDAC6 (0.57) HDAC6HDAC1HDAC8HDAC3HDAC7
SCHEMBL2522000 0.63 HDAC6 (0.50) HDAC6HDAC1HDAC8HDAC3HDAC7
SCHEMBL12210528 0.63 HDAC6 (0.60) HDAC6HDAC1HDAC8HDAC3HDAC7
SCHEMBL12283183 0.62 HDAC6 (0.57) HDAC6HDAC1HDAC8HDAC3HDAC7
SCHEMBL12211139 0.61 HDAC6 (0.49) HDAC6HDAC1HDAC8HDAC3HDAC7
SCHEMBL12210539 0.61 HDAC6 (0.66) HDAC6HDAC1HDAC8HDAC3HDAC7
SCHEMBL12210497 0.61 HDAC6 (0.62) HDAC6HDAC1HDAC8HDAC3HDAC7
SCHEMBL12211171 0.60 HDAC6 (0.54) HDAC6HDAC1HDAC8HDAC3HDAC7

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-2011130163-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-20 — — WO disclosed
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