SCHEMBL4686402

SCHEMBL4686402

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

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 20/20 0.58
CYP1A2 P05177 1/20 0.57

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 0.95 PTGER1 (0.63) PTGER1CYP1A2
SCHEMBL4683882 0.92 PTGER1 (0.61) PTGER1
SCHEMBL4684466 0.91 PTGER1 (0.58) PTGER1CYP1A2
SCHEMBL4683842 0.88 PTGER1 (0.61) PTGER1
SCHEMBL4686739 0.88 PTGER1 (0.62) PTGER1CYP1A2
SCHEMBL4685860 0.88 PTGER1 (0.72) PTGER1CYP1A2
SCHEMBL4686732 0.88 PTGER1 (0.74) PTGER1CYP1A2
SCHEMBL4686281 0.88 PTGER1 (0.74) PTGER1CYP1A2
SCHEMBL4684472 0.87 PTGER1 (0.76) PTGER1CYP1A2
SCHEMBL4680878 0.87 PTGER1 (0.65) 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