SCHEMBL8007941

SCHEMBL8007941

CC(C)c1ccc(CO)cc1S(C)(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.49
SLC9A2 Q9UBY0 1/20 0.49
CMA1 P23946 1/20 0.37
PTGS2 P35354 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
CA2 P00918 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
PTGES2 Q9H7Z7 2/20 0.35

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
SCHEMBL20150118 0.84 SLC9A1 (0.47) SLC9A1SLC9A2CA2L3MBTL1
SCHEMBL1495564 0.77 CMA1 (0.41) CMA1PTGS2CA2CA12CA1
SCHEMBL15459973 0.75 GABRA1 (0.45) PTGS2GABRA1GABRG2GABRB3CA2
SCHEMBL1017319 0.75 CYP4F2 (0.47) CMA1PTGS2CA2CA12CA1
SCHEMBL2910230 0.75 CA2 (0.41) CMA1PTGS2CA2CA12CA1
SCHEMBL1013610 0.75 GSTO1 (0.44) CMA1PTGS2CA2CA12CA1
SCHEMBL31726411 0.75 CA2 (0.46) GABRA1GABRG2GABRB3CA2CA12
SCHEMBL11962360 0.74 SLC9A1 (0.50) SLC9A1SLC9A2L3MBTL1
SCHEMBL11951611 0.74 SLC9A1 (0.50) SLC9A1SLC9A2L3MBTL1FABP3FABP4
SCHEMBL8007047 0.73 SLC9A1 (0.60) SLC9A1SLC9A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1062555-C Substituted benzyloxy carbonyl guanidine, its prepn. method, and application of the same as medicament and medicament containing the same HOECHST AG (DE) 2001-02-28 CN disclosed
EP-0748795-B1 Substituted benzyloxycarbonyl guanidines as Na+/H+ exchange inhibitors, process for their preparation, their use as medicinal or diagnostic agents as well as medicament containing them HOECHST AG (DE) 2000-08-23 EP disclosed
US-6022899-A EFFECTIVE INHIBITORS OF THE CELLULAR SODIUM PROTON ANTIPORTER HOECHST AKTIENGESELLSCHAFT (DE) 2000-02-08 US disclosed
US-5753710-A INHIBITORS OF THE CELLULAR SODIUM PROTON ANTIPORTER HOECHST AKTIENGESELLSCHAFT (DE) 1998-05-19 US disclosed
CN-1145360-A Substituted benzyloxy carbonyl guanidine, its prepn. method, and application of the same as medicament and medicament containing the same HOECHST AG (DE) 1997-03-19 CN disclosed
EP-0748795-A2 Substituted benzyloxycarbonyl guanidines as Na+/H+ exchange inhibitors, process for their preparation, their use as medicinal or diagnostic agents as well as medicament containing them HOECHST AKTIENGESELLSCHAFT (DE) 1996-12-18 EP disclosed