SCHEMBL4686732

SCHEMBL4686732

Cc1cc(OC(=O)O)nn1Cc1cc(Br)ccc1OCc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 20/20 0.74
CYP1A2 P05177 1/20 0.74

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
SCHEMBL4686734 0.94 PTGER1 (0.75) PTGER1CYP1A2
SCHEMBL4684584 0.92 PTGER1 (0.76) PTGER1CYP1A2
SCHEMBL4681478 0.92 PTGER1 (0.77) PTGER1CYP1A2
SCHEMBL4684651 0.92 PTGER1 (0.63) PTGER1CYP1A2
SCHEMBL4684472 0.91 PTGER1 (0.76) PTGER1CYP1A2
SCHEMBL4684577 0.91 PTGER1 (0.77) PTGER1CYP1A2
SCHEMBL4685277 0.89 PTGER1 (0.77) PTGER1CYP1A2
SCHEMBL4684101 0.88 PTGER1 (0.76) PTGER1CYP1A2
SCHEMBL4681048 0.88 PTGER1 (0.76) PTGER1CYP1A2
SCHEMBL4686402 0.88 PTGER1 (0.58) PTGER1CYP1A2

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