SCHEMBL4644381

SCHEMBL4644381

O=Cc1cccc(F)c1OC(=O)CCO

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.45
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 2/20 0.34
SRC P12931 2/20 0.33
CYP1A2 P05177 1/20 0.33
VCAM1 P19320 1/20 0.32
SLC2A1 P11166 1/20 0.32
SLC2A4 P14672 1/20 0.32
TLR2 O60603 1/20 0.32
TLR1 Q15399 1/20 0.32
TLR6 Q9Y2C9 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 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
SCHEMBL4646049 0.91 ERN1 (0.42) ERN1CA1CA2PTGDR2ALDH1A1
SCHEMBL4641991 0.88 ERN1 (0.47) ERN1CA1CA2PTGDR2ALDH1A1
SCHEMBL4646426 0.87 ERN1 (0.44) ERN1CA1CA2PTGDR2ALDH1A1
SCHEMBL4644291 0.87 ERN1 (0.44) ERN1CA1CA2PTGDR2ALDH1A1
SCHEMBL4641667 0.84 ERN1 (0.41) ERN1CA1CA2PTGDR2ALDH1A1
SCHEMBL4642684 0.84 ERN1 (0.41) ERN1CA1CA2PTGDR2ALDH1A1
SCHEMBL4642514 0.83 CA1 (0.54) ERN1CA1CA2PTGDR2ALDH1A1
SCHEMBL4641803 0.83 ERN1 (0.46) ERN1CA1CA2PTGDR2ALDH1A1
SCHEMBL4647881 0.83 ERN1 (0.46) ERN1CA1CA2PTGDR2ALDH1A1
SCHEMBL4644467 0.83 ERN1 (0.41) ERN1CA1CA2PTGDR2ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed
EP-1487928-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT Jotun AS (NO) 2004-12-22 EP disclosed
WO-2003080747-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2003-10-02 WO disclosed