SCHEMBL1860743

SCHEMBL1860743

CC(C)(C)OC(=O)N(Cc1ccccc1)[C@H]1CC[C@@H](C(=O)O)C[C@@H]1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.46
KDM1A O60341 3/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
AKT1 P31749 2/20 0.38
PTPRB P23467 1/20 0.38
PTPN11 Q06124 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
SLC18A3 Q16572 1/20 0.37
OPRM1 P35372 2/20 0.37
TAS2R14 Q9NYV8 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
SCHEMBL29173108 0.84 HSD11B1 (0.53) HSD11B1HDAC3HDAC1HDAC2NCOR2
SCHEMBL14897752 0.83 HSD11B1 (0.48) HSD11B1KDM1AHDAC8HDAC6HDAC3
SCHEMBL895157 0.81 HSD11B1 (0.53) HSD11B1KDM1AHDAC8HDAC6HDAC3
SCHEMBL1957769 0.81 HSD11B1 (0.45) HSD11B1KDM1AHDAC8HDAC6HDAC3
SCHEMBL17965902 0.81 HSD11B1 (0.45) HSD11B1KDM1AHDAC8HDAC6HDAC3
SCHEMBL9618427 0.79 HSD11B1 (0.49) HSD11B1KDM1AHDAC8HDAC6HDAC3
SCHEMBL14675152 0.78 HSD11B1 (0.53) HSD11B1KDM1AHDAC8HDAC6HDAC3
SCHEMBL14675151 0.78 HSD11B1 (0.53) HSD11B1KDM1AHDAC8HDAC6HDAC3
SCHEMBL17965904 0.78 HSD11B1 (0.54) HSD11B1HDAC3HDAC1HDAC2NCOR2
SCHEMBL2402582 0.78 HSD11B1 (0.51) HSD11B1HDAC3HDAC1HDAC2NCOR2

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
US-7935824-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-05-03 US disclosed