SCHEMBL29987487

SCHEMBL29987487

CC1(c2ccccc2)C=CC=CC1S(=O)(=O)O

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTT P42858 1/20 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
SCHEMBL30124886 0.91 PTPN1 (0.33) SMN1; SMN2
SCHEMBL30124933 0.86 HSD11B1 (0.31)
SCHEMBL30710190 0.84 CHRNA1 (0.31)
SCHEMBL30125098 0.84 SLC6A3 (0.37) SMN1; SMN2
SCHEMBL30124758 0.84 CCR2 (0.35)
SCHEMBL30124641 0.83 CCR2 (0.36)
SCHEMBL30710180 0.83 KMT2A (0.36)
SCHEMBL30124707 0.82 PKM (0.35) TSHRHTT
SCHEMBL30124958 0.82 HSD11B1 (0.35)
SCHEMBL30124913 0.82 CA12 (0.33)

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-115403494-B Method for synthesizing beta-hydroxy sulfone derivative by oxygen-initiated olefin double-functionalization under mild condition 湘潭大学 2024-01-02 CN disclosed
CN-115093323-B Beta-functionalized chiral homoallylic alcohol derivative and preparation method and application thereof 武汉大学 2023-12-22 CN disclosed
CN-115403494-A Method for synthesizing beta-hydroxy sulfone derivative through alkene dual functionalization initiated by oxygen under mild condition 湘潭大学 2022-11-29 CN disclosed
CN-115093323-A Beta-functionalized chiral homoallyl alcohol derivative and preparation method and application thereof 武汉大学 2022-09-23 CN disclosed