SCHEMBL9468519

SCHEMBL9468519

CCc1nn(CC)c(CO)c1Cc1ccc2oc(-c3ccccc3C(=O)OC(C)(C)C)c(Br)c2c1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.36
AGTR1 P30556 1/20 0.34

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
SCHEMBL9467181 0.91 AGTR1 (0.39) AGTR1
SCHEMBL9468038 0.91 PTGDR2 (0.36) PTGDR2AGTR1
SCHEMBL9468571 0.90
SCHEMBL9468567 0.90 PTGDR2 (0.37) PTGDR2
SCHEMBL9706701 0.89 PTGDR2 (0.41) PTGDR2AGTR1
SCHEMBL9468521 0.89 AGTR1 (0.33) AGTR1
SCHEMBL9468043 0.81 PTGDR2 (0.36) PTGDR2
SCHEMBL9468065 0.81 AGTR1 (0.43) PTGDR2AGTR1
SCHEMBL9468626 0.80 PTGDR2 (0.33) PTGDR2
SCHEMBL9468173 0.79 AGTR1 (0.40) AGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5264406-A Alkali or alkaline metal hypophosphites with amines INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1993-11-23 US disclosed
US-5264541-A Nylon 6 synthesis with water, alkali metal hypophoshite catalyst and amine cocatalyst INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1993-11-23 US disclosed
US-5260246-A Comprising alkali metal/alkaline earth hypophosphites and amine or benzotriazole cocatalysts INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1993-11-09 US disclosed
US-5252593-A Hypotensive agents, cognition activators GLAXO GROUP LIMITED (GB) 1993-10-12 US disclosed