SCHEMBL6508157

SCHEMBL6508157

C=C(C)C(=O)OCCOC12CC3CC(C1)CC(OCCOC(=O)C(=C)C)(C3)C2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.44
TSHR P16473 4/20 0.39
ALDH1A1 P00352 4/20 0.38
NPSR1 Q6W5P4 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
HTT P42858 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL22811928 0.94 THRB (0.40) THRBTSHRALDH1A1NPSR1CA1
SCHEMBL22811877 0.92 THRB (0.40) THRBTSHRALDH1A1NPSR1CA1
SCHEMBL14962543 0.91 THRB (0.46) THRBTSHRALDH1A1NPSR1CA1
SCHEMBL17717373 0.88 THRB (0.33) THRBALDH1A1NPSR1HTTMEN1
SCHEMBL8491934 0.87 THRB (0.50) THRBTSHRALDH1A1NPSR1CA1
SCHEMBL15131445 0.83 ALDH1A1 (0.33) THRBALDH1A1NPSR1HTTMEN1
SCHEMBL17738145 0.82
SCHEMBL16543373 0.82 THRB (0.36) THRBTSHR
SCHEMBL17738150 0.81
SCHEMBL16543374 0.81 THRB (0.35) THRB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8300329-B2 Optical element assembly and method of manufacturing optical unit KONICA MINOLTA OPTO, INC. (JP) 2012-10-30 US disclosed
JP-2005008527-A POLYMERIZABLE ADAMANTANE COMPOUND TOKUYAMA CORP 2005-01-13 JP disclosed