SCHEMBL9459269

SCHEMBL9459269

CCCCCCCCCCCCCCCCNC(=O)OCC(COP(O)Oc1cccc(C[n+]2ccccc2)c1)OC(C)C

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 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
SCHEMBL9459297 1.00 PTGS2 (0.38) PTGS2
SCHEMBL9459382 0.93 GMNN (0.41)
SCHEMBL9459365 0.93 GMNN (0.41)
SCHEMBL9459499 0.92
SCHEMBL9459776 0.92
SCHEMBL9459520 0.91 GMNN (0.36)
SCHEMBL9459399 0.91 GMNN (0.36)
SCHEMBL9459669 0.91 GMNN (0.44)
SCHEMBL9459247 0.91 GMNN (0.44)
SCHEMBL9460209 0.88

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
US-5234918-A For cardiovascular, respiratory, carcinogenic and inflammatory disorders AMERICAN CYANAMID COMPANY (US) 1993-08-10 US disclosed
US-5215975-A Certain hydroxy-phosphinyl-oxy-phenyl methyl-thiazolium hydroxide inner salts as PAF antagonists AMERICAN CYANAMID COMPANY (US) 1993-06-01 US disclosed