SCHEMBL8204583

SCHEMBL8204583

C=C(NOC(C)OCC(C)C)c1ccc(N2CCC(CNCc3ccc(CN[C@H](C(=O)OC4CCCC4)C4CCCCC4)cc3)CC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
ITGB3 P05106 6/20 0.33
PRSS1 P07477 6/20 0.33
PRSS2 P07478 6/20 0.33
PRSS3 P35030 6/20 0.33
ITGA2B P08514 5/20 0.33
F10 P00742 4/20 0.33
HDAC6 Q9UBN7 2/20 0.33
ITGB1 P05556 1/20 0.33
ITGAV P06756 1/20 0.33
ITGA5 P08648 1/20 0.33
F2 P00734 4/20 0.32
HDAC3 O15379 2/20 0.31
HDAC8 Q9BY41 2/20 0.31
TPSAB1 Q15661 2/20 0.30
TPSD1 Q9BZJ3 2/20 0.30
TPSG1 Q9NRR2 2/20 0.30
PLG P00747 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
SCHEMBL8202071 0.93 HDAC6 (0.38) OPRM1OPRD1OPRK1ITGB3PRSS1
SCHEMBL8207131 0.91 ITGB3 (0.32) ITGB3PRSS1PRSS2PRSS3ITGA2B
SCHEMBL8205561 0.91 ITGB3 (0.37) OPRM1OPRD1OPRK1ITGB3PRSS1
SCHEMBL8202871 0.86 HDAC6 (0.43) OPRM1OPRD1OPRK1ITGB3PRSS1
SCHEMBL13007352 0.84 HDAC3 (0.38) ITGB3PRSS1PRSS2PRSS3ITGA2B
SCHEMBL8202087 0.84 HDAC6 (0.39) ITGB3HDAC6ITGB1ITGAVITGA5
SCHEMBL8206345 0.84 HDAC6 (0.40) OPRM1OPRD1OPRK1ITGB3PRSS1
SCHEMBL13007366 0.84 HDAC3 (0.36) ITGB3PRSS1PRSS2PRSS3ITGA2B
SCHEMBL8203124 0.82 HDAC3 (0.34) F10HDAC6HDAC3HDAC8
SCHEMBL8203576 0.81 HDAC6 (0.54) OPRM1OPRD1OPRK1ITGB3PRSS1

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-2008053131-A1 HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE CHROMA THERAPEUTICS LTD. (GB) 2008-05-08 WO disclosed