SCHEMBL5216486

SCHEMBL5216486

CCCCCC(=O)C=C[C@H]1CCC(=O)N1CCSCCC(C)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 16/20 0.59
PTGER2 P43116 8/20 0.59
PTGER3 P43115 7/20 0.59

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
SCHEMBL5216558 0.86 PTGER4 (0.79) PTGER4PTGER2PTGER3
SCHEMBL5216532 0.86 PTGER4 (0.79) PTGER4PTGER2PTGER3
SCHEMBL5216562 0.86 PTGER4 (0.79) PTGER4PTGER2PTGER3
SCHEMBL7245447 0.86 PTGER4 (0.72) PTGER4PTGER2PTGER3
SCHEMBL7245443 0.86 PTGER4 (0.72) PTGER4PTGER2PTGER3
SCHEMBL5216476 0.83 PTGER4 (0.57) PTGER4PTGER2PTGER3
SCHEMBL5214661 0.82 PTGER4 (0.58) PTGER4PTGER2PTGER3
SCHEMBL5214669 0.82 PTGER4 (0.58) PTGER4PTGER2PTGER3
SCHEMBL14030713 0.81 PTGER4 (0.66) PTGER4PTGER2PTGER3
SCHEMBL14464329 0.80 PTGER4 (0.56) PTGER4PTGER2PTGER3

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 1 patent. 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 disclosed