SCHEMBL1758666

SCHEMBL1758666

O=C(O)CNC(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.68
KDM4E B2RXH2 1/20 0.68
KMT2A Q03164 4/20 0.66
MEN1 O00255 3/20 0.66
ALDH1A1 P00352 5/20 0.58
HPGD P15428 1/20 0.56
CYP17A1 P05093 1/20 0.49
CYP19A1 P11511 1/20 0.49
POLB P06746 1/20 0.47
ITGB1 P05556 2/20 0.47
ITGA4 P13612 2/20 0.47
HSD11B1 P28845 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
MCOLN3 Q8TDD5 1/20 0.46
GLA P06280 1/20 0.46

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
SCHEMBL4435358 0.85 KMT2A (0.54) HTTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL6274755 0.82 KMT2A (0.69) HTTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL8879807 0.81 KDM4E (1.00) HTTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL6880359 0.79 KDM4E (0.45) HTTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL7702205 0.78 ALDH1A1 (0.59) HTTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL28334704 0.76 KDM4E (0.68) HTTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL16365921 0.75 KDM4E (0.76) HTTKDM4EKMT2AMEN1HPGD
SCHEMBL13873443 0.74 HTT (0.66) HTTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL8655345 0.74 KDM4E (0.66) HTTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL9260496 0.74 KDM4E (0.56) HTTKDM4EKMT2AMEN1ALDH1A1

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-2011058582-A1 HISTONE DEACETYLASE INHIBITORS FOR THE TREATMENT OF FUNGAL INFECTIONS ORCHID RESEARCH LABORATORIES LTD. (IN) 2011-05-19 WO disclosed