SCHEMBL5216140

SCHEMBL5216140

COc1ccc(-c2cccc(C(O)CCC3CCC(=O)N3CCSCCCC(=O)O)c2)c(C)c1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 9/20 0.76
PTGER2 P43116 2/20 0.68
PTGER3 P43115 3/20 0.56
PTGER1 P34995 1/20 0.56

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
SCHEMBL5216126 1.00 PTGER4 (0.76) PTGER4PTGER2PTGER3PTGER1
SCHEMBL5215300 0.90 PTGER4 (0.93) PTGER4PTGER2PTGER3PTGER1
SCHEMBL5215619 0.90 PTGER4 (0.93) PTGER4PTGER2PTGER3PTGER1
SCHEMBL4933370 0.86 PTGER4 (1.00) PTGER4PTGER2PTGER3PTGER1
SCHEMBL5214074 0.84 PTGER4 (0.68) PTGER4PTGER2PTGER3PTGER1
SCHEMBL5214080 0.84 PTGER4 (0.68) PTGER4PTGER2PTGER3PTGER1
SCHEMBL5732904 0.81 PTGER4 (1.00) PTGER4PTGER2PTGER3PTGER1
SCHEMBL5732901 0.81 PTGER4 (1.00) PTGER4PTGER2PTGER3PTGER1
SCHEMBL5732740 0.80 PTGER4 (0.84) PTGER4PTGER2PTGER3PTGER1
SCHEMBL5732737 0.80 PTGER4 (0.84) PTGER4PTGER2PTGER3PTGER1

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-1408961-B1 2 PYRROLIDONE DERIVATIVES AS PROSTANOID AGONISTS HOFFMANN LA ROCHE (CH) 2007-07-11 EP claimed
EP-1408961-B1 2 PYRROLIDONE DERIVATIVES AS PROSTANOID AGONISTS HOFFMANN LA ROCHE (CH) 2007-07-11 EP disclosed