SCHEMBL8747650

SCHEMBL8747650

COCCOCOc1cc(CC(=O)O)cc(F)c1OCOCCOC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.39
ELANE P08246 1/20 0.39
RARG P13631 2/20 0.38
THRB P10828 6/20 0.37
THRA P10827 5/20 0.37
GAA P10253 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
FFAR4 Q5NUL3 2/20 0.36
FFAR1 O14842 1/20 0.36
RARA P10276 2/20 0.34
RARB P10826 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
IKBKB O14920 2/20 0.34

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
SCHEMBL8119126 0.88 RARG (0.35) F2ELANERARGFFAR4FFAR1
SCHEMBL7951445 0.86 THRB (0.43) F2ELANERARGTHRBTHRA
SCHEMBL3641084 0.83 GAA (0.47) F2ELANERARGGAAALDH1A1
SCHEMBL7964642 0.82 F2 (0.41) F2ELANERARGGAAFFAR4
SCHEMBL7962583 0.81 HPGD (0.44) F2ELANERARGTHRBTHRA
SCHEMBL8747666 0.79 RARG (0.31) RARG
SCHEMBL8129787 0.78 RARG (0.35) F2ELANERARGFFAR4FFAR1
SCHEMBL7962141 0.78 BLM (0.37) F2ELANERARGTSHRFFAR4
SCHEMBL8118651 0.77 STING1 (0.44) F2ELANERARGGAAALDH1A1
SCHEMBL3637864 0.76 CA5A (0.56) F2ELANEGAAALDH1A1TSHR

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-0761672-A1 Cephalosporin containing in position 7 a substituted benzyloxyimino radical, processes for their preparation and intermediates for their preparation, their use as medicaments ROUSSEL UCLAF (FR) 1997-03-12 EP disclosed