SCHEMBL28118746

SCHEMBL28118746

C=CC(=O)OC(CO)NCC

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.37
HPGD P15428 1/20 0.36
THRB P10828 2/20 0.34
ALDH1A1 P00352 5/20 0.32
TP53 P04637 3/20 0.32
HIF1A Q16665 3/20 0.32
CYP3A4 P08684 2/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL515777 0.87 TSHR (0.38) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL11590481 0.84 TSHR (0.39) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL10382473 0.80 TSHR (0.43) TSHRHPGDTHRBALDH1A1
SCHEMBL1399511 0.77 TSHR (0.44) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL10348939 0.76 TSHR (0.37) TSHRALDH1A1SMN1; SMN2HSD17B10
Chloromethane SCHEMBL4057299 0.74 TSHR (0.41) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL9637302 0.74 TSHR (0.41) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL515831 0.73 TSHR (0.39) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL11497592 0.73 TSHR (0.39) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL2515419 0.73 TSHR (0.39) TSHRHPGDTHRBALDH1A1TP53

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-104379619-B Novel comb copolymer and preparation method thereof 化工产品开发公司SEPPIC 2016-12-28 CN disclosed