SCHEMBL19210490

SCHEMBL19210490

NC(=O)c1c(F)ccc(OC(CCC(=O)O)c2nc(-c3ccc(C(F)(F)F)cc3)c(Cl)o2)c1F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.38
DHODH Q02127 1/20 0.35
FFAR4 Q5NUL3 6/20 0.34
CTSA P10619 1/20 0.33
PTPN1 P18031 3/20 0.33
IKBKB O14920 1/20 0.32
S1PR3 Q99500 1/20 0.32
S1PR5 Q9H228 1/20 0.32
FFAR1 O14842 1/20 0.31
PPARD Q03181 2/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL19210456 0.92 RXRA (0.35) PTGDR2DHODHFFAR4CTSAFFAR1
SCHEMBL13734658 0.90 PTPN1 (0.34) PTGDR2DHODHFFAR4PTPN1IKBKB
SCHEMBL13734189 0.90 PTGDR2 (0.36) PTGDR2DHODHIKBKB
SCHEMBL19210414 0.89 PTGDR2 (0.33) PTGDR2DHODHFFAR4CTSAPTPN1
SCHEMBL19210465 0.89 PTGDR2 (0.33) PTGDR2DHODHPTPN1IKBKB
SCHEMBL19210399 0.88 PTGDR2 (0.37) PTGDR2DHODHCTSAPTPN1IKBKB
SCHEMBL13732560 0.87 PTGDR2 (0.35) PTGDR2DHODHCTSAPTPN1IKBKB
SCHEMBL19210401 0.87 FFAR4 (0.35) PTGDR2DHODHFFAR4PTPN1FFAR1
SCHEMBL13826889 0.87 PTGDR2 (0.34) PTGDR2DHODHCTSAIKBKB
SCHEMBL13732961 0.86 PTGDR2 (0.34) PTGDR2DHODHCTSAPTPN1IKBKB

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-2699557-B1 3-(OXAZOL-2-YL-ETHOXY)- AND 3-(THIAZOL-2-YL-ETHOXY)-BENZAMIDE DERIVATIVES AS ANTI-BACTERIAL AGENTS BIOTA SCIENT MANAGEMENT (AU) 2017-08-16 EP claimed