SCHEMBL11839776

SCHEMBL11839776

CCOC(=O)C(c1ccc(-c2ccccc2Cl)cc1)S(=O)(=O)S

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 1/20 0.40
▸ NR3C2 P08235 1/20 0.40
▸ CHRNA7 P36544 1/20 0.39
▸ GRM6 O15303 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.38
▸ MAPT P10636 5/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ NPSR1 Q6W5P4 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ CDC7 O00311 1/20 0.37
▸ DBF4 Q9UBU7 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ HSP90AA1 P07900 2/20 0.37
▸ HKDC1 Q2TB90 2/20 0.37
▸ TNF P01375 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ CCR6 P51684 1/20 0.37

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
SCHEMBL11842029 0.82 GRM6 (0.41) PGRNR3C2GRM6ALDH1A1MAPT
SCHEMBL11845048 0.81 CYP2A6 (0.46) PGRNR3C2CASP1HSP90AA1PTGS2
SCHEMBL11836185 0.80 GRM6 (0.42) PGRNR3C2GRM6ALDH1A1MAPT
SCHEMBL11790207 0.80 CASP1 (0.47) PGRNR3C2GRM6ALDH1A1MAPT
SCHEMBL11838428 0.79 GRM6 (0.41) PGRNR3C2GRM6ALDH1A1MAPT
SCHEMBL11837196 0.79 GRM6 (0.41) PGRNR3C2GRM6ALDH1A1MAPT
SCHEMBL11828599 0.79 MAOB (0.43) CHRNA7GRM6ALDH1A1MAPTKDM4E
SCHEMBL11841294 0.75 KDM4E (0.39) PGRNR3C2GRM6ALDH1A1MAPT
SCHEMBL11827342 0.75 AKR1C3 (0.40) PGRNR3C2GRM6ALDH1A1MAPT
SCHEMBL11834108 0.75 ALDH1A1 (0.40) PGRNR3C2GRM6ALDH1A1MAPT

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
US-3941821-A ANTIINFLAMMATORY, ANALGESICS, ANTIPYRETICS WILLIAM H. RORER, INC. (US) 1976-03-02 — — US disclosed
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