SCHEMBL2667103

SCHEMBL2667103

Cc1ccc(S(=O)O[C@@H]2CCOC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.35
LRRK2 Q5S007 2/20 0.33
RECQL P46063 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
PDE4D Q08499 6/20 0.32
PDE4A P27815 3/20 0.32
PDE4B Q07343 3/20 0.32
PDE4C Q08493 3/20 0.32
SCN1A P35498 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31
P2RX3 P56373 1/20 0.30
P2RX2 Q9UBL9 1/20 0.30

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
SCHEMBL21161631 1.00 SYK (0.35) SYKLRRK2RECQLCYP1A2CYP2C19
SCHEMBL22359799 0.90 SYK (0.39) SYKLRRK2RECQLCYP1A2CYP2C19
SCHEMBL16900593 0.87 RECQL (0.36) RECQLCYP1A2CYP2C19ALDH1A1CYP3A4
SCHEMBL21375528 0.82 RECQL (0.37) RECQLCYP1A2CYP2C19ALDH1A1CYP3A4
SCHEMBL20158888 0.82 MEN1 (0.40) RECQLCYP1A2CYP2C19ALDH1A1CYP3A4
SCHEMBL19380327 0.80 MEN1 (0.42) RECQLCYP1A2CYP2C19ALDH1A1CYP3A4
SCHEMBL3786037 0.78 RECQL (0.35) RECQLCYP1A2CYP2C19ALDH1A1CYP3A4
SCHEMBL21646966 0.75 RECQL (0.37) RECQLCYP1A2CYP2C19ALDH1A1CYP3A4
SCHEMBL23396246 0.75 RECQL (0.40) RECQLCYP1A2CYP2C19ALDH1A1CYP3A4
SCHEMBL20018168 0.75 RECQL (0.40) RECQLCYP1A2CYP2C19ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2920146-B1 3-AMINOCYCLOPENTANE CARBOXAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2016-09-28 EP disclosed
EP-2831064-B1 NEW INDANYLOXYDIHYDROBENZOFURANYLACETIC ACID DERIVATIVES AND THEIR USE AS GPR40 RECEPTOR AGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-02-17 EP disclosed
WO-2014075754-A1 3-AMINOCYCLOPENTANE CARBOXAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2014-05-22 WO disclosed
WO-2013144097-A1 NEW INDANYLOXYDIHYDROBENZOFURANYLACETIC ACID DERIVATIVES AND THEIR USE AS GPR40 RECEPTOR AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-03 WO disclosed
WO-2007007041-A1 HETEROARYL BENZAMIDE DERIVATIVES FOR USE AS GLK ACTIVATORS IN THE TREATMENT OF DIABETES ASTRAZENECA AB (SE) 2007-01-18 WO disclosed
WO-2007007040-A1 2 -HETEROCYCLYLOXYBENZOYL AMINO HETEROCYCLYL COMPOUNDS AS MODULATORS OF GLUCOKINASE FOR THE TREATMENT OF TYPE 2 DIABETES ASTRAZENECA AB (SE) 2007-01-18 WO disclosed
WO-2006125972-A1 HETEROARYL BENZAMIDE DERIVATIVES FOR USE AS GLK ACTIVATORS IN THE TREATMENT OF DIABETES ASTRAZENECA AB (SE) 2006-11-30 WO disclosed