SCHEMBL27852913

SCHEMBL27852913

CC(C)c1ccccc1S(=O)(=O)O.CC(C)c1ccccc1S(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.47
GABRA1 P14867 3/20 0.46
GABRB2 P47870 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MYC P01106 1/20 0.44
FABP3 P05413 1/20 0.44
FABP4 P15090 1/20 0.44
FABP5 Q01469 1/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
TSHR P16473 2/20 0.43
CYP1A2 P05177 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
CYP3A4 P08684 2/20 0.43
LMNA P02545 2/20 0.43
FAAH O00519 1/20 0.43
HPGD P15428 1/20 0.43
GABRB1 P18505 1/20 0.43
PTGS1 P23219 1/20 0.43

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
SCHEMBL29353004 1.00 HSD11B1 (0.47) HSD11B1GABRA1GABRB2L3MBTL1MYC
SCHEMBL29617 1.00 HSD11B1 (0.47) HSD11B1GABRA1GABRB2L3MBTL1MYC
Calcium SCHEMBL31265402 0.98 HSD11B1 (0.46) HSD11B1GABRA1GABRB2L3MBTL1MYC
Ammonia Solution, Strong SCHEMBL340600 0.98 HSD11B1 (0.46) HSD11B1GABRA1GABRB2L3MBTL1MYC
SCHEMBL28621143 0.98 HSD11B1 (0.46) HSD11B1GABRA1GABRB2L3MBTL1MYC
SCHEMBL5692778 0.98 HSD11B1 (0.50) HSD11B1GABRA1GABRB2L3MBTL1MYC
Benzene SCHEMBL27770108 0.98 HSD11B1 (0.46) HSD11B1GABRA1GABRB2L3MBTL1MYC
SCHEMBL1589069 0.98 HSD11B1 (0.46) HSD11B1GABRA1GABRB2L3MBTL1MYC
SCHEMBL22345145 0.98 HSD11B1 (0.46) HSD11B1GABRA1GABRB2L3MBTL1MYC
SCHEMBL1588961 0.98 HSD11B1 (0.46) HSD11B1GABRA1GABRB2L3MBTL1MYC

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104396951-A Composition containing sorbitan monocaprylate and antimicrobial substances CLARIANT INT LTD 2015-03-11 CN disclosed
CN-102480944-B Compositions containing sorbitan monocaprylate and antimicrobial actives CLARIANT INT LTD 2014-12-10 CN disclosed
CN-102480944-A Compositions containing sorbitan monocaprylate and antimicrobial actives CLARIANT INT LTD 2012-05-30 CN disclosed
CN-102438451-A Composition containing sorbitan monocaprylate and alcohol CLARIANT FINANCE BVI LTD 2012-05-02 CN disclosed