SCHEMBL4643685

SCHEMBL4643685

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 6/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.35
SRC P12931 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 2/20 0.33
TLR2 O60603 1/20 0.33
TLR1 Q15399 1/20 0.33
TLR6 Q9Y2C9 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
PTPN1 P18031 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 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
SCHEMBL4646424 0.88 ERN1 (0.45) ERN1CA1CA2PTGDR2SRC
SCHEMBL4643524 0.86 CA1 (0.54) ERN1CA1CA2PTGDR2SRC
SCHEMBL4643837 0.83 SRC (0.51) ERN1CA1CA2PTGDR2SRC
SCHEMBL4647884 0.82 ALDH1A1 (0.42) ERN1CA1CA2PTGDR2SRC
SCHEMBL4647875 0.82 ERN1 (0.47) ERN1CA1CA2PTGDR2SRC
SCHEMBL4642014 0.79 PTGDR2 (0.49) ERN1PTGDR2SRCSMN1; SMN2ALDH1A1
SCHEMBL6555324 0.79 ERN1 (0.55) ERN1CA1CA2PTGDR2SRC
SCHEMBL20558414 0.77 ERN1 (0.42) ERN1CA1CA2PTGDR2SMN1; SMN2
SCHEMBL4641991 0.76 ERN1 (0.47) ERN1CA1CA2PTGDR2SRC
SCHEMBL6555318 0.75 ERN1 (0.50) ERN1CA1CA2PTGDR2SRC

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