SCHEMBL4685860

SCHEMBL4685860

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

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 20/20 0.72
CYP2C9 P11712 2/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2C19 P33261 1/20 0.64

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
SCHEMBL4683986 0.96 PTGER1 (0.66) PTGER1CYP2C9CYP1A2CYP2C19
SCHEMBL4680878 0.91 PTGER1 (0.65) PTGER1
SCHEMBL4684637 0.91 PTGER1 (0.59) PTGER1CYP2C9CYP1A2CYP2C19
SCHEMBL4684037 0.90 PTGER1 (0.59) PTGER1CYP2C9CYP1A2CYP2C19
SCHEMBL4680844 0.90 PTGER1 (0.63) PTGER1
SCHEMBL4100726 0.89 PTGER1 (0.75) PTGER1CYP2C9CYP1A2CYP2C19
SCHEMBL13693246 0.89 PTGER1 (0.74) PTGER1CYP2C9CYP1A2CYP2C19
SCHEMBL13693242 0.89 PTGER1 (0.68) PTGER1CYP2C9CYP1A2CYP2C19
SCHEMBL4683882 0.88 PTGER1 (0.61) PTGER1
SCHEMBL4681478 0.88 PTGER1 (0.77) 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