SCHEMBL11204014

SCHEMBL11204014

Cc1ccc(S(=O)(=O)OCCCc2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.51
ACHE P22303 1/20 0.51
MITF O75030 1/20 0.50
LMNA P02545 2/20 0.44
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
HSD11B1 P28845 1/20 0.42
TSHR P16473 1/20 0.42
PSMD10 O75832 1/20 0.41
KCNH2 Q12809 1/20 0.41
SIGMAR1 Q99720 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HCRTR2 O43614 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GRIA4 P48058 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
SCHEMBL8199145 0.92 BCHE (0.54) BCHEACHEMITFLMNACA1
SCHEMBL2567795 0.90 ALDH1A1 (0.47) LMNACA1CA2PSMD10KCNH2
SCHEMBL18934371 0.90 ALDH1A1 (0.47) LMNACA1CA2PSMD10KCNH2
SCHEMBL18926560 0.85 GAA (0.50) BCHEACHELMNACA1CA2
SCHEMBL18926554 0.84 CA2 (0.53) LMNACA1CA2TSHRPSMD10
SCHEMBL7723972 0.83 CNR2 (0.54) BCHEACHELMNATSHRPSMD10
SCHEMBL4793354 0.83 FKBP1A (0.52) BCHEACHECA1CA2TSHR
SCHEMBL7028389 0.82 CNR2 (0.50) BCHEACHELMNACA1CA2
SCHEMBL10724931 0.82 BCHE (0.50) BCHEACHEMITFLMNACA1
SCHEMBL8780852 0.82 FKBP1A (0.53) BCHEACHEPSMD10ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0025192-B1 SUBSTITUTED OXIRANE CARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION, THEIR USE AND MEDICINES CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1983-05-11 EP disclosed
US-4324796-A HYPOGLYCEMIC AGENTS, HYPOKETONEMIC AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1982-04-13 US disclosed
EP-0025192-A2 Substituted oxirane carboxylic acids, process for their preparation, their use and medicines containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1981-03-18 EP disclosed