SCHEMBL28201292

SCHEMBL28201292

CCO[SiH3].[CH2]CCOC(=O)C(=C)C

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.58
TSHR P16473 5/20 0.52
ALDH1A1 P00352 7/20 0.38
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
GLO1 Q04760 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
SCHEMBL28870857 0.93 TSHR (0.54) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL28212921 0.88 THRB (0.52) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL28196543 0.88 THRB (0.61) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL28212737 0.88 THRB (0.55) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL33314 0.88
SCHEMBL28156279 0.86 THRB (0.57) THRBTSHRALDH1A1POLBAPEX1
Arsenic SCHEMBL28242038 0.86 THRB (0.57) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL28108118 0.84 TSHR (0.45) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL28293254 0.84 THRB (0.55) THRBTSHRALDH1A1POLBAPEX1
Propionic Acid SCHEMBL28172772 0.82 THRB (0.55) THRBTSHRALDH1A1POLBAPEX1

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
CN-107603471-A Coating composition PPG工业俄亥俄公司 2018-01-19 CN claimed