SCHEMBL10969652

SCHEMBL10969652

COC(=O)C1CCC(=O)N1CCCCCCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 16/20 0.49
PTGER3 P43115 10/20 0.49
PTGER2 P43116 8/20 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
SCHEMBL28581963 0.84 PTGER4 (0.51) PTGER4PTGER3PTGER2
SCHEMBL28581962 0.84 PTGER4 (0.51) PTGER4PTGER3PTGER2
SCHEMBL10971336 0.84 PTGER4 (0.51) PTGER4PTGER3PTGER2
SCHEMBL11159884 0.84 PTGER4 (0.37) PTGER4PTGER3PTGER2
SCHEMBL19513853 0.79 PTGER4 (0.54) PTGER4PTGER3PTGER2
SCHEMBL11992514 0.78 ALDH1A1 (0.52)
SCHEMBL14513322 0.78 ALDH1A1 (0.52)
SCHEMBL10970283 0.77 PTGER4 (0.62) PTGER4PTGER3PTGER2
SCHEMBL18831938 0.77 PTGER4 (0.62) PTGER4PTGER3PTGER2
SCHEMBL2576673 0.76 P2RX7 (0.51)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0046082-B1 8-AZA-16,16-DIFLUOROPROSTANOIDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-06-05 EP disclosed
US-4399290-A ANTIULCER, ANTINFLAMMATORY AND BRONCHODILATOR AGENTS; 8-HZA PROSTANOIDS; PROSTAGLANDINS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1983-08-16 US disclosed
EP-0048611-A2 Optically active tert-alkyl 7-(2-oxo-5-carbonyloxypyrrolidinyl)heptanoates and process for their preparation E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-03-31 EP disclosed
US-4321201-A FROM AMINE SALTS THEROF E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-03-23 US disclosed
EP-0046082-A2 8-Aza-16,16-difluoroprostanoids E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-02-17 EP disclosed