SCHEMBL11062819

SCHEMBL11062819

CCCCC(F)(F)C(C)(O)/C=C/C1CCC(=O)N1CC(=O)CCCCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 20/20 0.48
▸ PTGER3 P43115 11/20 0.46
▸ PTGER2 P43116 10/20 0.46
▸ KCNH2 Q12809 1/20 0.39

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
SCHEMBL11062821 1.00 PTGER4 (0.48) PTGER4PTGER3PTGER2KCNH2
SCHEMBL11060848 0.85 PTGER4 (0.52) PTGER4PTGER3PTGER2KCNH2
SCHEMBL11060845 0.85 PTGER4 (0.52) PTGER4PTGER3PTGER2KCNH2
SCHEMBL11062131 0.75 PTGER4 (0.79) PTGER4PTGER3PTGER2
SCHEMBL11062129 0.75 PTGER4 (0.79) PTGER4PTGER3PTGER2
SCHEMBL11062776 0.74 PTGER4 (0.41) PTGER4PTGER3PTGER2
SCHEMBL11062779 0.74 PTGER4 (0.41) PTGER4PTGER3PTGER2
SCHEMBL11007958 0.73 PTGER4 (0.41) PTGER4PTGER3PTGER2
SCHEMBL3674143 0.71 PTGER4 (0.70) PTGER4PTGER3PTGER2
SCHEMBL3674145 0.71 PTGER4 (0.70) PTGER4PTGER3PTGER2

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
US-4456613-A 6-Keto- and 6-hydroxy-8-azaprostanoids and anti-ulcer use thereof E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-06-26 — — US disclosed
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