SCHEMBL672943

SCHEMBL672943

CCCCCCCCCc1ccc(O[PH](=O)[O-])cc1.CCCCCCCCCc1ccc(O[PH](=O)[O-])cc1.CCCCCCCCCc1ccc(O[PH](=O)[O-])cc1.CCCCCCCCCc1ccc(O[PH](=O)[O-])cc1.CCCCCCCCCc1ccc(O[PH](=O)[O-])cc1.CCCCCCCCCc1ccc(O[PH](=O)[O-])cc1.[Mo+6]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.51
CA2 P00918 2/20 0.50
THRB P10828 2/20 0.49
THRA P10827 1/20 0.49
ALDH1A1 P00352 3/20 0.47
ESR1 P03372 2/20 0.47
ADRA2A P08913 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
TACR2 P21452 2/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
LMNA P02545 2/20 0.47
CYP3A4 P08684 2/20 0.47
KDM4E B2RXH2 1/20 0.47
SHBG P04278 1/20 0.47
TP53 P04637 1/20 0.47
HSPD1 P10809 1/20 0.47
ADRB3 P13945 1/20 0.47
HTR2C P28335 1/20 0.47

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
SCHEMBL30229465 0.97 THRB (0.49) HTR2ACA2THRBTHRAALDH1A1
SCHEMBL28904253 0.97 THRB (0.49) HTR2ACA2THRBTHRAALDH1A1
SCHEMBL213057 0.97 THRB (0.49) HTR2ACA2THRBTHRAALDH1A1
SCHEMBL678040 0.85 THRB (0.53) HTR2ATHRBTHRAALDH1A1ESR1
SCHEMBL2817617 0.85 THRB (0.53) HTR2ATHRBTHRAALDH1A1ESR1
SCHEMBL2818978 0.85 THRB (0.53) HTR2ATHRBTHRAALDH1A1ESR1
SCHEMBL5685400 0.85 THRB (0.53) HTR2ATHRBTHRAALDH1A1ESR1
SCHEMBL3280809 0.85 THRB (0.53) HTR2ATHRBTHRAALDH1A1ESR1
SCHEMBL30229491 0.83 THRB (0.51) HTR2ATHRBTHRAALDH1A1ESR1
SCHEMBL10877184 0.83 THRB (0.51) HTR2ATHRBTHRAALDH1A1ESR1

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-8067503-B2 Process for producing blends of syndiotactic, 1,2-polybutadiene and rubbery elastomers BRIDGESTONE CORPORATION (JP) 2011-11-29 US disclosed