SCHEMBL31490941

SCHEMBL31490941

CC(C)(C)c1ccc(C=CS(=O)(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
MAPT P10636 3/20 0.53
HPGD P15428 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
CYP1A2 P05177 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TP53 P04637 2/20 0.53
NPC1 O15118 1/20 0.53
GMNN O75496 1/20 0.53
LMNA P02545 1/20 0.53
DRD1 P21728 1/20 0.53
DRD3 P35462 1/20 0.53
CCR2 P41597 1/20 0.53
RAB9A P51151 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
CYP3A4 P08684 1/20 0.53

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
SCHEMBL31490957 0.89 ALDH1A1 (0.54) ALDH1A1MAPTHPGDTDP1CYP1A2
SCHEMBL29153359 0.86 TLR9 (0.56) ALDH1A1MAPTHPGDTDP1CYP1A2
SCHEMBL29153354 0.86 TLR9 (0.56) ALDH1A1MAPTHPGDTDP1CYP1A2
SCHEMBL31490946 0.84 ALDH1A1 (0.53) ALDH1A1MAPTHPGDTDP1CYP1A2
SCHEMBL12477260 0.84 ALDH1A1 (0.55) ALDH1A1MAPTHPGDTDP1CYP1A2
SCHEMBL12477355 0.84 ALDH1A1 (0.55) ALDH1A1MAPTHPGDTDP1CYP1A2
SCHEMBL29022440 0.84 ALDH1A1 (0.51) ALDH1A1MAPTHPGDTDP1CYP1A2
SCHEMBL16828394 0.82 NFE2L2 (0.60) ALDH1A1MAPTHPGDTDP1CYP1A2
SCHEMBL16828395 0.82 NFE2L2 (0.60) ALDH1A1MAPTHPGDTDP1CYP1A2
SCHEMBL31490968 0.81 MAPT (0.49) ALDH1A1MAPTHPGDTDP1CYP1A2

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-119823005-A Method for preparing vinyl sulfone compound by coupling photo-promoted sulfonyl chloride and olefin 浙江工业大学 2025-04-15 CN disclosed