SCHEMBL14464291

SCHEMBL14464291

CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCS

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 19/20 0.72
▸ PTGER2 P43116 10/20 0.72
▸ PTGER3 P43115 9/20 0.72
▸ KCNH2 Q12809 1/20 0.47

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
SCHEMBL11830503 0.84 PTGER4 (1.00) PTGER4PTGER2PTGER3
SCHEMBL11830499 0.84 PTGER4 (1.00) PTGER4PTGER2PTGER3
SCHEMBL14268646 0.83 PTGER4 (0.76) PTGER4PTGER2PTGER3
SCHEMBL11660455 0.82 PTGER4 (0.81) PTGER4PTGER2PTGER3KCNH2
SCHEMBL5217323 0.82 PTGER4 (0.90) PTGER4PTGER2PTGER3
SCHEMBL11664455 0.82 PTGER4 (0.79) PTGER4PTGER2PTGER3KCNH2
SCHEMBL5217330 0.82 PTGER4 (0.90) PTGER4PTGER2PTGER3
SCHEMBL5214140 0.82 PTGER4 (0.90) PTGER4PTGER2PTGER3
SCHEMBL6612898 0.81 PTGER4 (0.64) PTGER4PTGER2PTGER3
SCHEMBL6612900 0.81 PTGER4 (0.64) 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
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