SCHEMBL28038111

SCHEMBL28038111

C=CC(=O)OCC(O)CS(=O)(=O)O.[KH]

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.48
ALDH1A1 P00352 4/20 0.38
TP53 P04637 3/20 0.38
HIF1A Q16665 3/20 0.38
CYP3A4 P08684 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 1/20 0.35
THRB P10828 2/20 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
SCHEMBL14930 0.98 TSHR (0.50) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5689041 0.86 TSHR (0.44) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL38666446 0.81 TSHR (0.47) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL95157 0.80 TSHR (0.64) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28652917 0.80 TSHR (0.41) TSHR
SCHEMBL28652916 0.80 TSHR (0.41) TSHR
SCHEMBL9561637 0.79 TSHR (0.58) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL2210403 0.77 TSHR (0.47) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28190666 0.77 TSHR (0.56) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL252054 0.77 GSTP1 (0.32) TSHRALDH1A1HPGD

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-105061961-A Salt tolerance super water-absorbent resin BEIJING INST TECHNOLOGY 2015-11-18 CN disclosed