SCHEMBL3680038

SCHEMBL3680038

CC(C)C(CCCCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)C(F)(F)c1cccc(Cl)c1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 18/20 0.54
PTGER2 P43116 8/20 0.54
PTGER3 P43115 7/20 0.53

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
SCHEMBL3682249 0.92 PTGER4 (0.62) PTGER4PTGER2PTGER3
SCHEMBL3675239 0.91 PTGER4 (0.61) PTGER4PTGER2PTGER3
SCHEMBL3674263 0.87 PTGER4 (0.70) PTGER4PTGER2PTGER3
SCHEMBL3674265 0.87 PTGER4 (0.70) PTGER4PTGER2PTGER3
SCHEMBL3139056 0.86 PTGER4 (0.55) PTGER4PTGER2PTGER3
SCHEMBL3674826 0.84 PTGER4 (0.56) PTGER4PTGER2PTGER3
SCHEMBL3674825 0.84 PTGER4 (0.56) PTGER4PTGER2PTGER3
SCHEMBL2206936 0.82 PTGER4 (0.63) PTGER4PTGER2PTGER3
SCHEMBL2206929 0.82 PTGER4 (0.63) PTGER4PTGER2PTGER3
SCHEMBL3672420 0.80 PTGER4 (0.62) PTGER4PTGER2PTGER3

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