SCHEMBL19210399

SCHEMBL19210399

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

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.37
DHODH Q02127 3/20 0.33
PTPN1 P18031 5/20 0.33
CTSA P10619 2/20 0.33
IKBKB O14920 1/20 0.32
STAT3 P40763 2/20 0.31
STAT1 P42224 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
PPARD Q03181 1/20 0.31
SCN9A Q15858 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL13733347 0.90 PTPN1 (0.35) PTGDR2DHODHPTPN1IKBKBPPARD
SCHEMBL13734189 0.89 PTGDR2 (0.36) PTGDR2DHODHIKBKBSCN9A
SCHEMBL19210490 0.88 PTGDR2 (0.38) PTGDR2DHODHPTPN1CTSAIKBKB
SCHEMBL13732560 0.87 PTGDR2 (0.35) PTGDR2DHODHPTPN1CTSAIKBKB
SCHEMBL13826889 0.86 PTGDR2 (0.34) PTGDR2DHODHCTSAIKBKBSCN9A
SCHEMBL13732961 0.85 PTGDR2 (0.34) PTGDR2DHODHPTPN1CTSAIKBKB
SCHEMBL19210465 0.85 PTGDR2 (0.33) PTGDR2DHODHPTPN1IKBKB
SCHEMBL13732333 0.84 HSD11B1 (0.34) IKBKBPPARDSCN9A
SCHEMBL13732883 0.84 PTGDR2 (0.33) PTGDR2DHODHPTPN1CTSAIKBKB
SCHEMBL13732675 0.84 SCN9A (0.36) PTGDR2DHODHPTPN1CTSAIKBKB

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