SCHEMBL424597

SCHEMBL424597

C=C(C)C(=O)OCCC[Si](OC)(OC)OC.C=CC(=O)OCCC[Si](OCC)(OCC)OCC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.44
HPGD P15428 1/20 0.44
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 1/20 0.41
THRB P10828 2/20 0.40
TP53 P04637 2/20 0.34
HIF1A Q16665 2/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ATM Q13315 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
SCHEMBL5080728 1.00 TSHR (0.44) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL11030313 0.98 TSHR (0.42) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL4603161 0.95 TSHR (0.49) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL996122 0.93 TSHR (0.42) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL11220288 0.92 TSHR (0.46) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL5448469 0.92 TSHR (0.47) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL4585244 0.91 TSHR (0.53) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL2577166 0.91 TSHR (0.50) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL5971626 0.90 TSHR (0.58) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL8740553 0.89 TSHR (0.36) TSHRHPGDALDH1A1CYP3A4THRB

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-20120019888-A1 PRIMER COMPOSITION FOR OPTICAL ARTICLES AND OPTICAL ARTICLES TOKUYAMA CORPORATION (JP) 2012-01-26 US disclosed