SCHEMBL4684472

SCHEMBL4684472

Cc1cc(OC(=O)O)nn1Cc1cc(Br)ccc1OCc1ccc(F)cc1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 20/20 0.76
CYP1A2 P05177 1/20 0.62

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
SCHEMBL4683838 0.92 PTGER1 (0.63) PTGER1CYP1A2
SCHEMBL4681478 0.91 PTGER1 (0.77) PTGER1CYP1A2
SCHEMBL4686732 0.91 PTGER1 (0.74) PTGER1CYP1A2
SCHEMBL4685277 0.90 PTGER1 (0.77) PTGER1CYP1A2
SCHEMBL4684651 0.89 PTGER1 (0.63) PTGER1CYP1A2
SCHEMBL4683995 0.89 PTGER1 (0.77) PTGER1CYP1A2
SCHEMBL4680878 0.89 PTGER1 (0.65) PTGER1
SCHEMBL4684466 0.88 PTGER1 (0.58) PTGER1CYP1A2
SCHEMBL4683994 0.88 PTGER1 (0.58) PTGER1CYP1A2
SCHEMBL4683882 0.87 PTGER1 (0.61) 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