SCHEMBL19210455

SCHEMBL19210455

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

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 2/20 0.33
S1PR3 Q99500 1/20 0.33
LTB4R Q15722 2/20 0.33
PTPN1 P18031 5/20 0.33
FFAR4 Q5NUL3 2/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.31
S1PR1 P21453 1/20 0.31
IKBKB O14920 1/20 0.31
SCN9A Q15858 1/20 0.31
SLC7A5 Q01650 3/20 0.30
PPARD Q03181 1/20 0.30
S1PR4 O95977 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
SCHEMBL19210405 0.98 S1PR5 (0.34) S1PR5S1PR3LTB4RPTPN1FFAR4
SCHEMBL13734658 0.94 PTPN1 (0.34) S1PR5S1PR3PTPN1FFAR4PTGDR2
SCHEMBL13731955 0.91 IKBKB (0.32) PTPN1IKBKBSCN9A
SCHEMBL13731885 0.90 IKBKB (0.33) PTPN1IKBKBSCN9A
SCHEMBL13734281 0.90 IKBKB (0.34) PTPN1PTGDR2IKBKBSCN9A
SCHEMBL13732288 0.89 PTPN1 (0.35) PTPN1PTGDR2IKBKBSCN9APPARD
SCHEMBL13731887 0.89 PTPN1 (0.34) PTPN1IKBKBSCN9A
SCHEMBL13733137 0.89 IKBKB (0.33) PTPN1PTGDR2IKBKBSCN9A
SCHEMBL13734322 0.88 SCN9A (0.35) PTPN1IKBKBSCN9A
SCHEMBL13733497 0.88 SCN9A (0.35) PTPN1IKBKBSCN9A

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