SCHEMBL11062779

SCHEMBL11062779

CCCCC(F)(F)C(C)(O)C=CC1CCC(=O)N1CC(O)CCCCCO

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 19/20 0.41
▸ PTGER2 P43116 12/20 0.41
▸ PTGER3 P43115 10/20 0.41

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
SCHEMBL11062776 1.00 PTGER4 (0.41) PTGER4PTGER2PTGER3
SCHEMBL11060845 0.89 PTGER4 (0.52) PTGER4PTGER2PTGER3
SCHEMBL11064480 0.78 PTGER4 (0.64) PTGER4PTGER2PTGER3
SCHEMBL11064479 0.78 PTGER4 (0.64) PTGER4PTGER2PTGER3
SCHEMBL11064612 0.77 PTGER4 (0.37) PTGER4PTGER2PTGER3
SCHEMBL11067995 0.68 PTGER4 (0.79) PTGER4PTGER2PTGER3
SCHEMBL11067999 0.68 PTGER4 (0.79) PTGER4PTGER2PTGER3
SCHEMBL20144256 0.62 PTGER4 (0.47) PTGER4PTGER2PTGER3
3-Octanol SCHEMBL4861816 0.55 LMNA (0.59) —
Octanol SCHEMBL25232666 0.55 LMNA (0.65) —

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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