SCHEMBL8089729

SCHEMBL8089729

C=C(/C=C/C(C)=C/C(C)C(=C)c1ccc(NC)cc1)NO

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 3/20 0.40
▸ HDAC4 P56524 3/20 0.40
▸ HDAC1 Q13547 3/20 0.40
▸ HDAC7 Q8WUI4 3/20 0.40
▸ HDAC2 Q92769 3/20 0.40
▸ HDAC10 Q969S8 3/20 0.40
▸ HDAC8 Q9BY41 3/20 0.40
▸ HDAC6 Q9UBN7 3/20 0.40
▸ HDAC9 Q9UKV0 3/20 0.40
▸ HDAC5 Q9UQL6 3/20 0.40
▸ HDAC11 Q96DB2 2/20 0.40
▸ APP P05067 2/20 0.35
▸ CSNK2A2 P19784 1/20 0.30
▸ CSNK2B P67870 1/20 0.30
▸ CSNK2A1 P68400 1/20 0.30
▸ CSNK2A3 Q8NEV1 1/20 0.30

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
SCHEMBL8231474 0.82 HDAC1 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1521160 0.74 HDAC1 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13465162 0.74 HDAC1 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1521164 0.74 HDAC1 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17549781 0.71 HDAC1 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12195777 0.69 HDAC1 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14546983 0.69 HDAC1 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14705471 0.68 HDAC1 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8577051 0.63 TSHR (0.42) HDAC3HDAC1HDAC2APP
SCHEMBL1521166 0.62 HDAC1 (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2

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-2008144011-A1 COMPOUNDS AND METHODS FOR TREATING OR PREVENTING AUTOIMMUNE DISEASES AVALON PHARMACEUTICALS (US) 2008-11-27 — — WO disclosed
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