SCHEMBL17086795

SCHEMBL17086795

C[C@H]1CN(C(=O)Cc2cccc(C3=CCC(C)(C)CC3)c2)CCN1Cc1ccc(C(=O)NO)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 13/20 0.40
▸ HDAC6 Q9UBN7 13/20 0.40
▸ HDAC8 Q9BY41 4/20 0.36
▸ HDAC10 Q969S8 2/20 0.36
▸ CCR5 P51681 1/20 0.36
▸ ADAM10 O14672 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ OPRM1 P35372 2/20 0.36
▸ OPRK1 P41145 2/20 0.36
▸ CSF1R P07333 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ EPAS1 Q99814 1/20 0.34

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
SCHEMBL20432855 0.90 HDAC6 (0.49) HDAC1HDAC6HDAC8HDAC10ADAM10
SCHEMBL17078940 0.90 HDAC6 (0.49) HDAC1HDAC6HDAC8HDAC10ADAM10
SCHEMBL17086801 0.84 HDAC1 (0.47) HDAC1HDAC6HDAC8HDAC10HDAC4
SCHEMBL17086800 0.83 HIF1A (0.44) HDAC1HDAC6HDAC8MMP2HDAC4
SCHEMBL17086791 0.82 HDAC6 (0.46) HDAC1HDAC6HDAC8HDAC4KCNH2
SCHEMBL17078537 0.82 HDAC1 (0.38) HDAC1HDAC6ADAM10MMP2MMP9
SCHEMBL20421063 0.80 HDAC1 (0.37) HDAC1HDAC6ADAM10MMP2MMP9
SCHEMBL17078694 0.80 HDAC6 (0.64) HDAC1HDAC6HDAC8HDAC10HDAC4
SCHEMBL17078942 0.80 HDAC6 (0.49) HDAC1HDAC6HDAC4KCNH2
SCHEMBL20432796 0.80 HDAC6 (0.49) HDAC1HDAC6HDAC4KCNH2

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-2015137750-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2015-09-17 — — WO disclosed
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