SCHEMBL19210456

SCHEMBL19210456

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.35
RXRB P28702 3/20 0.35
RXRG P48443 3/20 0.35
FFAR4 Q5NUL3 7/20 0.35
PTGDR2 Q9Y5Y4 3/20 0.34
CTSA P10619 1/20 0.33
DHODH Q02127 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
GFER P55789 1/20 0.32
FPR2 P25090 2/20 0.32
SCN9A Q15858 2/20 0.32
FFAR1 O14842 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 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
SCHEMBL19210490 0.92 PTGDR2 (0.38) FFAR4PTGDR2CTSADHODHFFAR1
SCHEMBL19210474 0.91 RXRA (0.34) RXRARXRBRXRGFFAR4PTGDR2
SCHEMBL13731632 0.89 SCN9A (0.36) PTGDR2CTSADHODHFPR2SCN9A
SCHEMBL19210454 0.88 P2RX3 (0.33) DHODHFPR2SCN9A
SCHEMBL13731867 0.85 SCN9A (0.33) PTGDR2CTSAFPR2SCN9A
SCHEMBL13734612 0.84 PPARG (0.41) PTGDR2CTSADHODHFPR2SCN9A
SCHEMBL13733428 0.83 FPR2 (0.33) CTSAFPR2SCN9A
SCHEMBL15711729 0.83 SCN9A (0.33) PTGDR2CTSAFPR2SCN9A
SCHEMBL13731834 0.82 FPR2 (0.32) PTGDR2CTSAFPR2SCN9A
SCHEMBL13734658 0.82 PTPN1 (0.34) RXRARXRBRXRGFFAR4PTGDR2

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