SCHEMBL5497433

SCHEMBL5497433

C=CC(=O)OC([SiH3])(CC)C(OCCCC)OCCCC

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.47
HPGD P15428 1/20 0.47
THRB P10828 4/20 0.35
ATM Q13315 1/20 0.35
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
THRA P10827 1/20 0.30

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
SCHEMBL27496685 0.84 THRB (0.35) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL3959088 0.80 THRB (0.36) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL17727598 0.79 TSHR (0.41) TSHRHPGDTHRBALDH1A1
SCHEMBL105694 0.70 TSHR (0.55) TSHRHPGDTHRBATMALDH1A1
SCHEMBL19583231 0.69 TSHR (0.58) TSHRHPGDTHRBATMALDH1A1
SCHEMBL5369950 0.69 TSHR (0.53) TSHRHPGDTHRBATMALDH1A1
SCHEMBL752302 0.69 TSHR (0.53) TSHRHPGDTHRBATMALDH1A1
SCHEMBL5251142 0.69 TSHR (0.45) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL51558 0.68 TSHR (0.56) TSHRHPGDTHRBATMALDH1A1
SCHEMBL3422881 0.68 TSHR (0.56) TSHRHPGDTHRBATMALDH1A1

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-7205362-B2 Method for controlled radical polymerization bioMérieux (FR) 2007-04-17 US disclosed