SCHEMBL28121990

SCHEMBL28121990

CCC(C)(O)S(=O)(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.48
HSD11B1 P28845 5/20 0.46
CYP2C19 P33261 1/20 0.45
CA2 P00918 2/20 0.41
TSHR P16473 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
PLA2G7 Q13093 1/20 0.41
CA9 Q16790 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR6 P50406 1/20 0.39
ALDH1A1 P00352 3/20 0.39

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
SCHEMBL13703524 0.79 PSIP1 (0.52) PSIP1HSD11B1CYP2C19CA2TSHR
SCHEMBL23195341 0.79 PSIP1 (0.52) PSIP1HSD11B1CYP2C19CA2TSHR
SCHEMBL10652867 0.79 TSHR (0.48) PSIP1HSD11B1CYP2C19CA2TSHR
SCHEMBL7405107 0.78 CYP2C19 (0.47) PSIP1HSD11B1CYP2C19TSHRSMN1; SMN2
SCHEMBL16637944 0.78 HSD11B1 (0.45) PSIP1HSD11B1CYP2C19TSHRALDH1A1
SCHEMBL20502359 0.77 PSIP1 (0.45) PSIP1HSD11B1CYP2C19TSHRSMN1; SMN2
SCHEMBL7906867 0.77 HSD11B1 (0.47) PSIP1HSD11B1CYP2C19TSHRSMN1; SMN2
SCHEMBL14731229 0.77 PSIP1 (0.54) PSIP1HSD11B1CYP2C19CA2TSHR
Hydrochloric Acid SCHEMBL28194736 0.77 TSHR (0.46) PSIP1HSD11B1CYP2C19CA2TSHR
SCHEMBL5158536 0.74 PSIP1 (0.47) PSIP1HSD11B1TSHRSMN1; SMN2HTR6

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-106432004-A Synthesizing method of 3-sulfonyl alcohol compounds 济南大学 2017-02-22 CN disclosed