SCHEMBL4691016

SCHEMBL4691016

CN(c1c2c(c(OC(c3ccccc3)c3ccccc3)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2)S(=O)(=O)NC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 20/20 0.38
TBXA2R P21731 2/20 0.35
PTGFR P43088 2/20 0.35
PTGER3 P43115 2/20 0.35
PTGER2 P43116 2/20 0.35
PTGDR Q13258 2/20 0.35
PTGIR P43119 1/20 0.34

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
SCHEMBL4696672 0.92 PTGER4 (0.35) PTGER4TBXA2RPTGFRPTGER3PTGER2
SCHEMBL14573777 0.90 IDH1 (0.34) PTGER4
SCHEMBL14573778 0.89 IDH1 (0.34) PTGER4
SCHEMBL12378082 0.88 IDH1 (0.34) PTGER4
SCHEMBL12378107 0.88 KEAP1 (0.34) PTGER4PTGDR
SCHEMBL4691020 0.87 PTGER4 (0.35) PTGER4TBXA2RPTGFRPTGER3PTGER2
SCHEMBL12378101 0.87 IDH1 (0.33) PTGER4
SCHEMBL14573781 0.87 PTGER4 (0.33) PTGER4
SCHEMBL5645681 0.87 IDH1 (0.34) PTGER4
SCHEMBL12378113 0.86 TP53 (0.35) PTGER4PTGDR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888581-A2 HIV-INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2008-02-20 EP disclosed
WO-2006125048-A2 HIV-INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2006-11-23 WO disclosed