SCHEMBL28282736

SCHEMBL28282736

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nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.61
TSHR P16473 8/20 0.46
ALDH1A1 P00352 7/20 0.44
TP53 P04637 3/20 0.44
HSD17B10 Q99714 3/20 0.44
HIF1A Q16665 2/20 0.44
TDP1 Q9NUW8 2/20 0.40
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
CYP3A4 P08684 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MAPT P10636 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
SNCA P37840 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
SCHEMBL9696561 0.94 THRB (0.57) THRBTSHRALDH1A1TP53HSD17B10
SCHEMBL2034734 0.93 THRB (0.61) THRBTSHRALDH1A1TP53HSD17B10
SCHEMBL17109945 0.93 THRB (0.61) THRBTSHRALDH1A1TP53HSD17B10
Ethylene SCHEMBL5680057 0.92 THRB (0.55) THRBTSHRALDH1A1TP53HSD17B10
SCHEMBL85972 0.91 THRB (0.63) THRBTSHRALDH1A1TP53HSD17B10
SCHEMBL1057516 0.88 TSHR (0.50) THRBTSHRALDH1A1TP53HSD17B10
SCHEMBL6269152 0.88
SCHEMBL8921614 0.88
SCHEMBL28226548 0.88 TSHR (0.50) THRBTSHRALDH1A1TP53HSD17B10
SCHEMBL22017 0.88

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-105765129-B Product and preparation method thereof comprising dirt adsorpting polymerization object 宝洁公司 2019-02-26 CN disclosed