SCHEMBL10969201

SCHEMBL10969201

CC(C)(C)OC(=O)CCCCCCN1C(=O)CCC1C=O

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 19/20 0.47
PTGER3 P43115 11/20 0.47
PTGER2 P43116 7/20 0.46
KCNH2 Q12809 1/20 0.41
PTGER1 P34995 1/20 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
SCHEMBL5733480 0.86 PTGER4 (0.48) PTGER4PTGER3PTGER2KCNH2PTGER1
SCHEMBL5733485 0.86 PTGER4 (0.48) PTGER4PTGER3PTGER2KCNH2PTGER1
SCHEMBL11831184 0.84 PTGER4 (0.53) PTGER4PTGER3PTGER2KCNH2
SCHEMBL4995634 0.84 PTGER4 (0.49) PTGER4PTGER3PTGER2KCNH2PTGER1
SCHEMBL4995626 0.84 PTGER4 (0.49) PTGER4PTGER3PTGER2KCNH2PTGER1
SCHEMBL11159884 0.83 PTGER4 (0.37) PTGER4PTGER3PTGER2
SCHEMBL11829823 0.81 PTGER4 (0.55) PTGER4PTGER3PTGER2KCNH2
SCHEMBL11829973 0.81 PTGER4 (0.75) PTGER4PTGER3PTGER2
SCHEMBL11829979 0.81 PTGER4 (0.75) PTGER4PTGER3PTGER2
SCHEMBL11829818 0.81 PTGER4 (0.55) PTGER4PTGER3PTGER2KCNH2

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 6 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 claimed
EP-0046082-A2 8-Aza-16,16-difluoroprostanoids E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-02-17 EP claimed
EP-0046082-B1 8-AZA-16,16-DIFLUOROPROSTANOIDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-06-05 EP disclosed
US-4320136-A ANTIASTHMATIC, ANTIULCER PROSTAGLANDINS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-03-16 US disclosed
EP-0046082-A2 8-Aza-16,16-difluoroprostanoids E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-02-17 EP disclosed
US-3975399-A PROSTAGLANDIN LIKE ACTIVITY E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-08-17 US disclosed