SCHEMBL4641645

SCHEMBL4641645

CC(=O)Oc1c(Br)cc(Br)cc1C=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.50
TOP2B Q02880 4/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.41
PRKDC P78527 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
CFD P00746 1/20 0.34
LMNA P02545 1/20 0.34
PREP P48147 1/20 0.34
SRC P12931 1/20 0.34
PTPN1 P18031 1/20 0.34
POLB P06746 1/20 0.34
IDE P14735 1/20 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
SCHEMBL16005190 0.83 ERN1 (0.41) ERN1ALDH1A1CYP1A2CYP2C19PTGDR2
SCHEMBL4644715 0.83 ERN1 (0.47) ERN1TOP2BALDH1A1CYP1A2CYP2C19
SCHEMBL4647729 0.83 HSD17B10 (0.50) TOP2BHSD17B10MEN1KMT2AGAA
SCHEMBL4641640 0.83 ERN1 (0.50) ERN1TOP2BALDH1A1CYP1A2CYP2C19
SCHEMBL4647388 0.80 ERN1 (0.47) ERN1ALDH1A1CYP1A2CYP2C19HSD17B10
SCHEMBL4644807 0.80 ERN1 (0.44) ERN1ALDH1A1CYP1A2CYP2C19HSD17B10
SCHEMBL4641549 0.79 ERN1 (0.46) ERN1ALDH1A1CYP1A2CYP2C19HSD17B10
SCHEMBL4644717 0.79 ERN1 (0.46) ERN1ALDH1A1CYP1A2CYP2C19HSD17B10
SCHEMBL18871611 0.78 HSD17B10 (0.46) TOP2BHSD17B10MEN1KMT2AGAA
SCHEMBL1071145 0.78 ERN1 (0.53) ERN1ALDH1A1CYP1A2CYP2C19HSD17B10

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