SCHEMBL14099698

SCHEMBL14099698

CC1(C)[C@H]2C[C@H](CC=O)[C@@H](NC(=O)c3csc4ccccc34)[C@@H]1C2

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 20/20 0.73
TBXA2R P21731 6/20 0.73

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
SCHEMBL14463116 1.00 PTGDR (0.73) PTGDRTBXA2R
SCHEMBL14515008 0.89 PTGDR (0.69) PTGDRTBXA2R
SCHEMBL14514987 0.87 PTGDR (0.67) PTGDRTBXA2R
SCHEMBL14514981 0.86 PTGDR (0.84) PTGDRTBXA2R
SCHEMBL633484 0.85 PTGDR (1.00) PTGDRTBXA2R
SCHEMBL18269299 0.84 PTGDR (0.85) PTGDRTBXA2R
SCHEMBL12923819 0.84 PTGDR (0.85) PTGDRTBXA2R
SCHEMBL7643696 0.83 PTGDR (0.55) PTGDRTBXA2R
SCHEMBL6869920 0.83 PTGDR (0.56) PTGDRTBXA2R
SCHEMBL6935578 0.74 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-1193243-B1 NOVEL PROCESS FOR PRODUCING BICYCLIC AMINO ALCOHOL SHIONOGI & CO (JP) 2008-08-13 EP disclosed
US-7214832-B2 Processes for the preparation of bicyclic aminoalcohols SHIONOGI & CO., LTD. (JP) 2007-05-08 US disclosed