SCHEMBL19210401

SCHEMBL19210401

CCCc1oc(C(CCC(=O)O)Oc2ccc(F)c(C(N)=O)c2F)nc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 6/20 0.35
PPARD Q03181 6/20 0.34
PPARA Q07869 4/20 0.34
PPARG P37231 4/20 0.34
PTPN1 P18031 2/20 0.33
SCN9A Q15858 2/20 0.32
FPR2 P25090 1/20 0.32
FFAR1 O14842 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
DHODH Q02127 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
SCHEMBL13732446 0.90 SCN9A (0.34) PPARDPTPN1SCN9AFPR2
SCHEMBL19210414 0.89 PTGDR2 (0.33) FFAR4PPARDPPARAPPARGPTPN1
SCHEMBL13734607 0.88 SCN9A (0.32) PPARDPTPN1SCN9AFPR2DHODH
SCHEMBL13734658 0.87 PTPN1 (0.34) FFAR4PPARDPPARAPPARGPTPN1
SCHEMBL19210490 0.87 PTGDR2 (0.38) FFAR4PPARDPPARAPPARGPTPN1
SCHEMBL13732548 0.86 SCN9A (0.33) PPARDPTPN1SCN9AFPR2
SCHEMBL13731862 0.84 SCN9A (0.35) FFAR4SCN9AFPR2
SCHEMBL19210405 0.83 S1PR5 (0.34) FFAR4PPARDPPARAPPARGPTPN1
SCHEMBL13732450 0.82 SCN9A (0.34) FFAR4PPARDPPARAPTPN1SCN9A
SCHEMBL19210455 0.82 S1PR5 (0.33) FFAR4PPARDPTPN1SCN9APTGDR2

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