SCHEMBL3675239

SCHEMBL3675239

CC(C)C(CCCCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)C(F)(F)c1ccccc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 20/20 0.61
PTGER3 P43115 10/20 0.61
PTGER2 P43116 8/20 0.53
PTGER1 P34995 1/20 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
SCHEMBL3139056 0.95 PTGER4 (0.55) PTGER4PTGER3PTGER2PTGER1
SCHEMBL3682249 0.93 PTGER4 (0.62) PTGER4PTGER3PTGER2
SCHEMBL3680038 0.91 PTGER4 (0.54) PTGER4PTGER3PTGER2
SCHEMBL3672420 0.88 PTGER4 (0.62) PTGER4PTGER3PTGER2PTGER1
SCHEMBL2238729 0.87 PTGER4 (0.46) PTGER4PTGER3PTGER2
SCHEMBL3137356 0.87 PTGER4 (0.46) PTGER4PTGER3PTGER2
SCHEMBL3127098 0.87 PTGER4 (0.46) PTGER4PTGER3PTGER2
SCHEMBL3135447 0.87 PTGER4 (0.46) PTGER4PTGER3PTGER2PTGER1
SCHEMBL3671879 0.85 PTGER4 (0.79) PTGER4PTGER3PTGER2PTGER1
SCHEMBL3671882 0.85 PTGER4 (0.79) PTGER4PTGER3PTGER2PTGER1

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
EP-1513589-B1 1,5-DISUBSTITUTED PYRROLID-2-ONE DERIVATIVES FOR USE AS EP4 RECEPTOR AGONISTS IN THE TREATMENT OF EYE DISEASES SUCH AS GLAUCOMA MERCK FROSST CANADA LTD (CA) 2010-11-10 EP claimed