SCHEMBL4685366

SCHEMBL4685366

COc1ccc(OCc2ccc(F)cc2F)c(Cn2nc(OC(=O)O)cc2C)c1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 17/20 0.65
MTNR1B P49286 1/20 0.42
MAOB P27338 1/20 0.41
MAPK14 Q16539 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL4686281 0.93 PTGER1 (0.74) PTGER1CYP1A2
SCHEMBL4683994 0.89 PTGER1 (0.58) PTGER1CYP1A2
SCHEMBL4683995 0.88 PTGER1 (0.77) PTGER1CYP1A2
SCHEMBL4686703 0.88 PTGER1 (0.77) PTGER1
SCHEMBL4686738 0.88 PTGER1 (0.64) PTGER1MAPK14CYP1A2
SCHEMBL4685311 0.87 PTGER1 (0.85) PTGER1CYP1A2
SCHEMBL4683400 0.86 PTGER1 (0.59) PTGER1CYP1A2
SCHEMBL4684108 0.84 PTGER1 (0.56) PTGER1CYP1A2
SCHEMBL4683974 0.84 PTGER1 (0.65) PTGER1
SCHEMBL4683336 0.83 PTGER1 (0.59) PTGER1

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-1675832-B1 HETEROCYCLYL COMPOUNDS GLAXO GROUP LTD (GB) 2008-02-20 EP claimed