SCHEMBL4685290

SCHEMBL4685290

Cc1cc(OC(=O)O)nn1Cc1ccccc1OCc1ccccc1Cl

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 18/20 0.63
FFAR1 O14842 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47

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
SCHEMBL4683842 0.92 PTGER1 (0.61) PTGER1
SCHEMBL4680844 0.92 PTGER1 (0.63) PTGER1
SCHEMBL4679542 0.92 PTGER1 (0.75) PTGER1
SCHEMBL4681048 0.90 PTGER1 (0.76) PTGER1
SCHEMBL4683336 0.89 PTGER1 (0.59) PTGER1
SCHEMBL4684637 0.88 PTGER1 (0.59) PTGER1
SCHEMBL4679553 0.85 PTGER1 (0.84) PTGER1
SCHEMBL4686738 0.85 PTGER1 (0.64) PTGER1
SCHEMBL4684466 0.84 PTGER1 (0.58) PTGER1
SCHEMBL4684660 0.83 PTGER1 (0.74) 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