SCHEMBL28129166

SCHEMBL28129166

O=S(=O)(O)C(=Cc1ccccc1)S(=O)(=O)O.[CaH2]

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
AKR1C3 P42330 2/20 0.43
ALDH1A1 P00352 2/20 0.43
AKR1C1 Q04828 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
FBP1 P09467 3/20 0.39
PTGS2 P35354 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
PRMT1 Q99873 1/20 0.38

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
SCHEMBL28082912 1.00 TSHR (0.43) TSHRAKR1C3ALDH1A1AKR1C1SMN1; SMN2
SCHEMBL2543854 0.98 TSHR (0.45) TSHRAKR1C3ALDH1A1AKR1C1SMN1; SMN2
SCHEMBL28129681 0.95 TSHR (0.43) TSHRAKR1C3ALDH1A1AKR1C1SMN1; SMN2
SCHEMBL28129180 0.95 TSHR (0.43) TSHRAKR1C3ALDH1A1AKR1C1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL18492497 0.95 TSHR (0.43) TSHRAKR1C3ALDH1A1AKR1C1SMN1; SMN2
SCHEMBL28082815 0.93 TSHR (0.42) TSHRAKR1C3ALDH1A1AKR1C1SMN1; SMN2
SCHEMBL27932510 0.84 AKR1C3 (0.39) TSHRAKR1C3ALDH1A1AKR1C1SMN1; SMN2
SCHEMBL8913897 0.79 TSHR (0.45) TSHRAKR1C3ALDH1A1AKR1C1SMN1; SMN2
SCHEMBL321001 0.77 TSHR (0.43) TSHRAKR1C3ALDH1A1AKR1C1SMN1; SMN2
SCHEMBL27040809 0.77 AKR1C3 (0.43) TSHRAKR1C3ALDH1A1AKR1C1FBP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106459653-B Hydrophily monofilm 三井化学株式会社 2019-03-01 CN disclosed
CN-105814092-B Composition for hydrophilic cured product 三井化学株式会社 2018-09-21 CN disclosed
CN-107430213-A Hydrophilic optical feature monofilm and its layered product 三井化学株式会社 2017-12-01 CN disclosed
CN-106459653-A Hydrophilic single-layer film 三井化学株式会社 2017-02-22 CN disclosed