SCHEMBL29010641

SCHEMBL29010641

CC1CCN1S(=O)(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 8/20 0.49
OPRM1 P35372 7/20 0.49
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 1/20 0.45
ALOX15 P16050 1/20 0.43
UCHL1 P09936 1/20 0.42
USP30 Q70CQ3 1/20 0.42
ALOX5AP P20292 4/20 0.42
FEN1 P39748 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 1/20 0.40
ACHE P22303 1/20 0.40

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
SCHEMBL28969716 0.89 ALOX15 (0.54) OPRK1OPRM1ALOX15KMT2A
SCHEMBL1398794 0.81 HCRTR1 (0.43) OPRK1OPRM1HCRTR1HCRTR2UCHL1
SCHEMBL1398797 0.81 HCRTR1 (0.43) OPRK1OPRM1HCRTR1HCRTR2UCHL1
SCHEMBL3215709 0.79 OPRK1 (0.48) OPRK1OPRM1ALOX15ALOX5APFEN1
SCHEMBL3215721 0.79 OPRK1 (0.48) OPRK1OPRM1ALOX15ALOX5APFEN1
SCHEMBL1398793 0.78 FEN1 (0.50) OPRK1OPRM1HCRTR1HCRTR2UCHL1
SCHEMBL1398849 0.77 ALOX5AP (0.58) OPRK1OPRM1HCRTR1HCRTR2UCHL1
SCHEMBL28546624 0.75 TSHR (0.55) OPRK1OPRM1HCRTR1HCRTR2ALOX5AP
SCHEMBL31716763 0.73 CASP3 (0.50) OPRK1OPRM1HCRTR1HCRTR2ALOX5AP
SCHEMBL31717173 0.72 MMP2 (0.51) OPRK1OPRM1HCRTR1HCRTR2L3MBTL1

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-115819768-B Reversibly bonded polysulfide and preparation method thereof 广东工业大学 2023-04-21 CN disclosed