SCHEMBL8710539

SCHEMBL8710539

CCCCOc1cccc(S(=O)(=O)c2ccccc2)c1OCCCC

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.53
CCNE1 P24864 1/20 0.53
CDK2 P24941 1/20 0.53
HTR6 P50406 4/20 0.50
ABCB1 P08183 6/20 0.48
ABCC1 P33527 4/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTGES O14684 2/20 0.43
ALOX5 P09917 2/20 0.43
PPARG P37231 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
KAT6A Q92794 1/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL8710536 0.96 CCNE2 (0.49) CCNE2CCNE1CDK2HTR6ABCB1
SCHEMBL8710411 0.93 HTR6 (0.51) CCNE2CCNE1CDK2HTR6ABCB1
SCHEMBL9398222 0.88 HTR6 (0.60) CCNE2CCNE1CDK2HTR6ABCB1
SCHEMBL5414167 0.84 HTR6 (0.47) CCNE2CCNE1CDK2HTR6ALDH1A1
SCHEMBL9214247 0.84 HTR6 (0.58) CCNE2CCNE1CDK2HTR6ABCB1
SCHEMBL8747424 0.80 HTR6 (0.62) CCNE2CCNE1CDK2HTR6ABCB1
SCHEMBL931962 0.79 TSHR (0.55) HTR6ABCB1CYP1A2CYP2C9CYP2C19
SCHEMBL7238953 0.77 HTR6 (0.42) CCNE2CCNE1CDK2HTR6PTGES
SCHEMBL8046875 0.77 ABCB1 (0.48) CCNE2CCNE1CDK2HTR6ABCB1
SCHEMBL930534 0.77 TSHR (0.53) HTR6ABCB1CYP1A2CYP2C9CYP2C19

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
EP-0860429-A1 DIPHENYL SULFONE CROSSLINKING TYPE COMPOUNDS AND RECORDING MATERIALS USING THEM NIPPON SODA CO., LTD. (JP) 1998-08-26 EP disclosed