SCHEMBL19210474

SCHEMBL19210474

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.34
RXRB P28702 3/20 0.34
RXRG P48443 3/20 0.34
FFAR4 Q5NUL3 6/20 0.34
DHODH Q02127 2/20 0.32
CTSA P10619 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
PTGFR P43088 3/20 0.32
FPR2 P25090 2/20 0.31
SCN9A Q15858 2/20 0.31
FFAR1 O14842 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 0.91 RXRA (0.35) RXRARXRBRXRGFFAR4DHODH
SCHEMBL13734658 0.91 PTPN1 (0.34) RXRARXRBRXRGFFAR4DHODH
SCHEMBL19210393 0.91 MAPT (0.35) FFAR4CTSAPTGDR2
SCHEMBL13732602 0.90 SCN9A (0.35) CTSAFPR2SCN9A
SCHEMBL19210438 0.90 IMPDH2 (0.33) FFAR4CTSAPTGDR2SCN9A
SCHEMBL19210449 0.89 FFAR4 (0.36) FFAR4DHODHCTSAFPR2SCN9A
SCHEMBL19210419 0.89 CTSA (0.34) CTSAPTGDR2
SCHEMBL13733585 0.89 SCN9A (0.35) DHODHCTSAFPR2SCN9A
SCHEMBL13733148 0.88 SCN9A (0.34) DHODHCTSAPTGDR2FPR2SCN9A
SCHEMBL19210395 0.87 S1PR1 (0.36) FFAR1

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