SCHEMBL9036968

SCHEMBL9036968

CCCCCCOc1ccc2c(c1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(CC(=O)O)S2

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 10/20 0.41
S1PR1 P21453 6/20 0.41
S1PR3 Q99500 4/20 0.41
POLB P06746 1/20 0.41
GSK3B P49841 1/20 0.39
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38

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
SCHEMBL9036091 0.99 POLB (0.41) S1PR5S1PR1S1PR3POLBGSK3B
SCHEMBL9036080 0.97 POLB (0.43) S1PR5S1PR1S1PR3POLBMMP1
SCHEMBL9493240 0.94 POLB (0.43) S1PR5S1PR1S1PR3POLBMMP1
SCHEMBL9036911 0.90 POLB (0.44) POLB
SCHEMBL9036325 0.87 POLB (0.43) S1PR5S1PR1S1PR3POLBGSK3B
SCHEMBL9493789 0.86 POLB (0.46) POLBGSK3B
SCHEMBL9035970 0.86 POLB (0.42) S1PR5S1PR1POLB
SCHEMBL9036684 0.85 POLB (0.45) POLBGSK3B
SCHEMBL9036104 0.84 GSK3B (0.52) S1PR5S1PR1S1PR3POLBGSK3B
SCHEMBL9491735 0.84 POLB (0.44) POLB

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