SCHEMBL9036104

SCHEMBL9036104

CCCCCCOc1ccc(CN2C(=O)C(CC(=O)O)Sc3ccccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.52
POLB P06746 1/20 0.49
S1PR5 Q9H228 10/20 0.47
S1PR1 P21453 6/20 0.47
S1PR3 Q99500 4/20 0.47
PLA2G4B P0C869 1/20 0.43
CDC25A P30304 1/20 0.42

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
SCHEMBL9037309 0.99 GSK3B (0.50) GSK3BPOLBS1PR5S1PR1S1PR3
SCHEMBL9036646 0.97 POLB (0.52) GSK3BPOLBS1PR5S1PR1S1PR3
SCHEMBL9035470 0.93 POLB (0.52) GSK3BPOLB
SCHEMBL9036405 0.89 POLB (0.54) GSK3BPOLB
SCHEMBL9034627 0.87 POLB (0.54) GSK3BPOLBS1PR5S1PR1S1PR3
SCHEMBL9036086 0.86 POLB (0.55) GSK3BPOLBCDC25A
SCHEMBL9036968 0.84 S1PR5 (0.41) GSK3BPOLBS1PR5S1PR1S1PR3
SCHEMBL9036209 0.84 POLB (0.57) GSK3BPOLB
SCHEMBL9037675 0.83 POLB (0.60) GSK3BPOLB
SCHEMBL9036091 0.83 POLB (0.41) GSK3BPOLBS1PR5S1PR1S1PR3

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-0492667-B1 1,4-Benzothiazine-2-acetic acid derivatives, processes for production thereof and their use GREEN CROSS CORP (JP) 1996-04-17 EP disclosed
US-5252571-A 1,4-benzothiazine-2-acetic acid derivatives SAPPORO BREWERIES LIMITED (JP) 1993-10-12 US disclosed
EP-0492667-A1 1,4-Benzothiazine-2-acetic acid derivatives, processes for production thereof and their use THE GREEN CROSS CORPORATION (JP) 1992-07-01 EP disclosed