SCHEMBL6866940

SCHEMBL6866940

O=C(O)CCC/C=C\C[C@@H]1C[C@H]2C[C@@H](C2)[C@@H]1NC(=O)c1csc2ccc(O)cc12

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 20/20 0.74
TBXA2R P21731 5/20 0.74

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
SCHEMBL4648170 1.00 PTGDR (0.74) PTGDRTBXA2R
SCHEMBL6866936 1.00 PTGDR (0.74) PTGDRTBXA2R
SCHEMBL7115968 0.86 PTGDR (0.67) PTGDRTBXA2R
SCHEMBL7115977 0.86 PTGDR (0.67) PTGDRTBXA2R
SCHEMBL7115973 0.86 PTGDR (0.67) PTGDRTBXA2R
SCHEMBL7114327 0.86 PTGDR (0.67) PTGDRTBXA2R
SCHEMBL633588 0.85 PTGDR (1.00) PTGDRTBXA2R
SCHEMBL6150895 0.85 PTGDR (1.00) PTGDRTBXA2R
SCHEMBL6935578 0.85 PTGDR (1.00) PTGDRTBXA2R
SCHEMBL6936201 0.85 PTGDR (1.00) PTGDRTBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1069123-B1 PROCESS FOR PRODUCING BENZOTHIOPHENECARBOXYLIC ACID AMIDE DERIVATIVES SHIONOGI & CO (JP) 2004-11-10 EP disclosed
EP-1069123-A1 PROCESS FOR PRODUCING BENZOTHIOPHENECARBOXYLIC ACID AMIDE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2001-01-17 EP disclosed