SCHEMBL293552

SCHEMBL293552

CCCC1C[C@@H]([C@H](O)COCc2ccccc2)OC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
CA1 P00915 3/20 0.40
PSMB11 A5LHX3 1/20 0.39
PSMD11 O00231 1/20 0.39
PSMD12 O00232 1/20 0.39
PSMD14 O00487 1/20 0.39
PSMA7 O14818 1/20 0.39
PSMD3 O43242 1/20 0.39
PSMC3 P17980 1/20 0.39
PSMB1 P20618 1/20 0.39
PSMA1 P25786 1/20 0.39
PSMA2 P25787 1/20 0.39
PSMA3 P25788 1/20 0.39
PSMA4 P25789 1/20 0.39
PSMB8 P28062 1/20 0.39
PSMB9 P28065 1/20 0.39
PSMA5 P28066 1/20 0.39
PSMB4 P28070 1/20 0.39
PSMB6 P28072 1/20 0.39
PSMB5 P28074 1/20 0.39

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
SCHEMBL293554 1.00 HTT (0.42) HTTCA1PSMB11PSMD11PSMD12
SCHEMBL292971 0.91 HTT (0.44) HTTCA1PSMB11PSMD11PSMD12
SCHEMBL292079 0.87 HTT (0.46) HTTCA1PSMB11PSMD11PSMD12
SCHEMBL8154874 0.84 HTT (0.46) HTTCA1PSMB11PSMD11PSMD12
SCHEMBL292574 0.84 HTT (0.46) HTTCA1PSMB11PSMD11PSMD12
SCHEMBL292703 0.82 PLA2G6 (0.35) CA1PSMB11PSMD11PSMD12PSMD14
SCHEMBL3975545 0.81 HTT (0.44) HTTCA1PSMB11PSMD11PSMD12
SCHEMBL4746758 0.81 HTT (0.44) HTTCA1PSMB11PSMD11PSMD12
SCHEMBL292938 0.79 HTT (0.41) HTTCA1PSMB11PSMD11PSMD12
SCHEMBL7954963 0.75 KMT2A (0.43) HTTLMNA

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
EP-2036896-B1 CYCLIC AMINE COMPOUND DAIICHI SANKYO CO LTD (JP) 2012-03-14 EP disclosed