SCHEMBL19210449

SCHEMBL19210449

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 6/20 0.36
FFAR1 O14842 4/20 0.36
CYP2C9 P11712 1/20 0.36
CACNA1C Q13936 1/20 0.36
PPARD Q03181 8/20 0.35
PPARA Q07869 4/20 0.35
DHODH Q02127 1/20 0.34
PPARG P37231 3/20 0.33
SCN9A Q15858 3/20 0.33
FPR2 P25090 1/20 0.33
CTSA P10619 1/20 0.32
SHMT2 P34897 1/20 0.32

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
SCHEMBL13734658 0.90 PTPN1 (0.34) FFAR4FFAR1PPARDPPARADHODH
SCHEMBL19210393 0.90 MAPT (0.35) FFAR4PPARDCTSA
SCHEMBL13732031 0.90 SCN9A (0.37) FFAR4PPARDPPARADHODHSCN9A
SCHEMBL19210474 0.89 RXRA (0.34) FFAR4FFAR1DHODHSCN9AFPR2
SCHEMBL13732427 0.86 SCN9A (0.34) FFAR4PPARDPPARADHODHPPARG
SCHEMBL19210438 0.86 IMPDH2 (0.33) FFAR4SCN9ACTSA
SCHEMBL19210419 0.85 CTSA (0.34) CTSA
SCHEMBL19210405 0.85 S1PR5 (0.34) FFAR4FFAR1PPARDPPARAPPARG
SCHEMBL13731882 0.85 SCN9A (0.39) FFAR4PPARDPPARADHODHPPARG
SCHEMBL19210455 0.85 S1PR5 (0.33) FFAR4PPARDSCN9A

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