SCHEMBL4644343

SCHEMBL4644343

COC(=O)/C=C\C(=O)OCC(=O)Oc1c(Br)cc(Br)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MAPT P10636 4/20 0.40
HSD17B10 Q99714 1/20 0.39
HCAR2 Q8TDS4 2/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PKM P14618 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
AKR1C3 P42330 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
SCHEMBL4642059 1.00 ALDH1A1 (0.40) ALDH1A1MAPTHSD17B10HCAR2KEAP1
SCHEMBL4642064 1.00 ALDH1A1 (0.40) ALDH1A1MAPTHSD17B10HCAR2KEAP1
SCHEMBL4643435 0.78 MAPT (0.44) ALDH1A1MAPTHSD17B10HCAR2KEAP1
SCHEMBL4644946 0.78 MAPT (0.44) ALDH1A1MAPTHSD17B10HCAR2KEAP1
SCHEMBL4643443 0.78 MAPT (0.44) ALDH1A1MAPTHSD17B10HCAR2KEAP1
SCHEMBL4642569 0.77 MAPT (0.48) ALDH1A1MAPTHSD17B10HCAR2KEAP1
SCHEMBL4644463 0.77 MAPT (0.48) ALDH1A1MAPTHSD17B10HCAR2KEAP1
SCHEMBL4642565 0.77 MAPT (0.48) ALDH1A1MAPTHSD17B10HCAR2KEAP1
SCHEMBL4644085 0.74 PTGDR2 (0.50) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL4645491 0.74 PTGDR2 (0.50) ALDH1A1MAPTMEN1KMT2ACYP1A2

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