SCHEMBL6612900

SCHEMBL6612900

CCCCC[C@@H](O)/C=C/C1CCC(=O)N1C/C=C\C[O]

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 18/20 0.64
▸ PTGER2 P43116 11/20 0.64
▸ PTGER3 P43115 10/20 0.64
▸ PTGER1 P34995 1/20 0.49

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
SCHEMBL6612898 1.00 PTGER4 (0.64) PTGER4PTGER2PTGER3PTGER1
SCHEMBL12298847 0.91 PTGER4 (0.64) PTGER4PTGER2PTGER3PTGER1
SCHEMBL12298846 0.86 PTGER4 (0.73) PTGER4PTGER2PTGER3PTGER1
SCHEMBL14261759 0.86 PTGER4 (0.73) PTGER4PTGER2PTGER3PTGER1
SCHEMBL14579896 0.84 PTGER4 (0.56) PTGER4PTGER2PTGER3PTGER1
SCHEMBL5213643 0.84 PTGER4 (0.73) PTGER4PTGER2PTGER3PTGER1
SCHEMBL5213647 0.84 PTGER4 (0.73) PTGER4PTGER2PTGER3PTGER1
SCHEMBL5213650 0.84 PTGER4 (0.73) PTGER4PTGER2PTGER3PTGER1
SCHEMBL5213653 0.84 PTGER4 (0.73) PTGER4PTGER2PTGER3PTGER1
SCHEMBL14268700 0.82 PTGER4 (0.53) 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-A1 2 PYRROLIDONE DERIVATIVES AS PROSTANOID AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-21 — — EP disclosed
WO-2003007941-A1 2 PYRROLIDONE DERIVATIVES AS PROSTANOID AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-01-30 — — WO disclosed
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