SCHEMBL28626490

SCHEMBL28626490

COCCOCCOC(=O)c1ccccc1S(N)(=O)=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.64
CA1 P00915 6/20 0.63
CA2 P00918 6/20 0.63
CA9 Q16790 6/20 0.63
CA5A P35218 4/20 0.63
ALDH1A1 P00352 6/20 0.45
TDP1 Q9NUW8 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CA12 O43570 4/20 0.42
CA3 P07451 3/20 0.42
CA4 P22748 3/20 0.42
CA6 P23280 3/20 0.42
CA7 P43166 3/20 0.42
CA13 Q8N1Q1 3/20 0.42
CA14 Q9ULX7 3/20 0.42
CA5B Q9Y2D0 3/20 0.42

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
SCHEMBL14066807 0.89 TSHR (0.64) TSHRCA1CA2CA9CA5A
SCHEMBL4881844 0.87 TSHR (0.62) TSHRCA1CA2CA9CA5A
SCHEMBL20565451 0.86 TSHR (0.60) TSHRCA1CA2CA9CA5A
SCHEMBL10913128 0.86 CA1 (0.55) TSHRCA1CA2CA9CA5A
SCHEMBL5599951 0.85 TSHR (0.89) TSHRALDH1A1TDP1L3MBTL1TP53
SCHEMBL2809758 0.85 TSHR (0.89) TSHRALDH1A1TDP1L3MBTL1TP53
SCHEMBL8436890 0.84 ALDH1A1 (0.67) TSHRCA1CA2CA9CA5A
SCHEMBL11041492 0.81 TSHR (0.70) TSHRALDH1A1TDP1L3MBTL1TP53
SCHEMBL30748712 0.80 CA1 (0.68) TSHRCA1CA2CA9CA5A
SCHEMBL8900471 0.80 TSHR (0.80) TSHRCA1CA2CA9CA5A

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-108883099-B Thiazolidinone compounds and use thereof 石全 2021-09-28 CN disclosed