SCHEMBL31469855

SCHEMBL31469855

C=C(OS(=O)(=O)CC)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 3/20 0.39
CES2 O00748 3/20 0.38
CES1 P23141 3/20 0.38
HPGD P15428 1/20 0.38
PSIP1 O75475 1/20 0.38
EGFR P00533 1/20 0.37
PTGS2 P35354 2/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL778435 0.79 LMNA (0.39) ALDH1A1MAPTNPSR1LMNACES2
SCHEMBL6234524 0.78 LMNA (0.53) ALDH1A1NPSR1LMNACES2CES1
SCHEMBL778436 0.78 TSHR (0.39) ALDH1A1MAPTNPSR1LMNACES2
SCHEMBL3391109 0.75 MAPT (0.56) ALDH1A1MAPTLMNATSHR
SCHEMBL28565663 0.74 CA2 (0.40) ALDH1A1NPSR1LMNACES2CES1
Potassium Ion SCHEMBL28576058 0.74 CA2 (0.35) ALDH1A1NPSR1LMNACES2CES1
SCHEMBL31469869 0.74 KDM4E (0.42) ALDH1A1MAPTNPSR1HPGDTSHR
SCHEMBL28190448 0.73 CES1 (0.41) ALDH1A1MAPTNPSR1LMNACES2
SCHEMBL18214394 0.72 RECQL (0.47) ALDH1A1MAPTLMNACES2CES1
SCHEMBL2221348 0.71 ELANE (0.51) ALDH1A1MAPTNPSR1LMNACES2

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-119710735-A Method for electrochemically synthesizing vinyl sulfonate compound 广西师范大学 2025-03-28 CN disclosed