SCHEMBL4647875

SCHEMBL4647875

C[CH]C(=O)Oc1c(F)cccc1C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.47
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
SRC P12931 2/20 0.38
TLR2 O60603 1/20 0.37
TLR1 Q15399 1/20 0.37
TLR6 Q9Y2C9 1/20 0.37
KMT2A Q03164 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
SLC2A1 P11166 1/20 0.33
SLC2A4 P14672 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
BLM P54132 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL4646424 0.84 ERN1 (0.45) ERN1CA1CA2SRCTLR2
SCHEMBL6555324 0.83 ERN1 (0.55) ERN1CA1CA2SRCTLR2
SCHEMBL4644793 0.82 CA1 (0.62) ERN1CA1CA2SRCTLR2
SCHEMBL4643685 0.82 ERN1 (0.42) ERN1CA1CA2SRCTLR2
SCHEMBL6555318 0.80 ERN1 (0.50) ERN1CA1CA2SRCTLR2
SCHEMBL4642146 0.79 SRC (0.57) ERN1CA1CA2SRCTLR2
SCHEMBL4641991 0.77 ERN1 (0.47) ERN1CA1CA2SRCTLR2
SCHEMBL4647881 0.76 ERN1 (0.46) ERN1CA1CA2SRCTLR2
SCHEMBL4641803 0.76 ERN1 (0.46) ERN1CA1CA2SRCTLR2
SCHEMBL4641676 0.76 ALDH1A1 (0.45) ERN1CA1CA2SRCTLR2

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