SCHEMBL11062129

SCHEMBL11062129

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

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 19/20 0.79
▸ PTGER3 P43115 11/20 0.79
▸ PTGER2 P43116 10/20 0.79

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
SCHEMBL11062131 1.00 PTGER4 (0.79) PTGER4PTGER3PTGER2
SCHEMBL11830503 0.88 PTGER4 (1.00) PTGER4PTGER3PTGER2
SCHEMBL11830499 0.88 PTGER4 (1.00) PTGER4PTGER3PTGER2
SCHEMBL11067999 0.87 PTGER4 (0.79) PTGER4PTGER3PTGER2
SCHEMBL11067995 0.87 PTGER4 (0.79) PTGER4PTGER3PTGER2
SCHEMBL11662045 0.86 PTGER4 (0.77) PTGER4PTGER3PTGER2
SCHEMBL11060038 0.86 PTGER4 (0.60) PTGER4PTGER3PTGER2
SCHEMBL11060037 0.86 PTGER4 (0.60) PTGER4PTGER3PTGER2
SCHEMBL5214403 0.84 PTGER4 (0.94) PTGER4PTGER3PTGER2
SCHEMBL5214409 0.84 PTGER4 (0.94) 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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