SCHEMBL3672403

SCHEMBL3672403

CC(C)OC(=O)CCC/C=C\CN1C(=O)CC[C@@H]1/C=C/[C@@H](O)C(F)(F)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 15/20 0.49
PTGER3 P43115 7/20 0.49
PTGER2 P43116 6/20 0.43
ABCB11 O95342 2/20 0.41
PTGFR P43088 2/20 0.41
ABCC4 O15439 1/20 0.41
TBXA2R P21731 1/20 0.41
PTGER1 P34995 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL2209812 0.95 PTGER4 (0.44) PTGER4PTGER3PTGER2ABCB11PTGFR
SCHEMBL6375903 0.89 PTGER4 (0.59) PTGER4PTGER3PTGER2PTGER1
SCHEMBL3671662 0.89 PTGER4 (0.59) PTGER4PTGER3PTGER2PTGER1
SCHEMBL3671660 0.89 PTGER4 (0.59) PTGER4PTGER3PTGER2PTGER1
SCHEMBL3675003 0.87 PTGER4 (0.65) PTGER4PTGER3PTGER2PTGER1
SCHEMBL3674999 0.87 PTGER4 (0.65) PTGER4PTGER3PTGER2PTGER1
SCHEMBL2208514 0.84 PTGER4 (0.53) PTGER4PTGER3PTGER2PTGER1
SCHEMBL2208505 0.84 PTGER4 (0.53) PTGER4PTGER3PTGER2PTGER1
SCHEMBL2212490 0.84 PTGER4 (0.53) PTGER4PTGER3PTGER2PTGER1
SCHEMBL2208956 0.83 PTGER4 (0.59) 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