SCHEMBL4645197

SCHEMBL4645197

O=Cc1cc(Br)cc(Br)c1OC(=O)CCCl

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.44
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.35
HSD17B10 Q99714 1/20 0.33
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 1/20 0.32
TOP2A P11388 1/20 0.32
PTPN1 P18031 1/20 0.31
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL4644964 0.92 ERN1 (0.41) ERN1ALDH1A1CYP1A2CYP2C19PTGDR2
SCHEMBL4644795 0.90 ALDH1A1 (0.41) ERN1ALDH1A1CYP1A2CYP2C19PTGDR2
SCHEMBL4641549 0.88 ERN1 (0.46) ERN1ALDH1A1CYP1A2CYP2C19PTGDR2
SCHEMBL4642272 0.87 ERN1 (0.45) ERN1ALDH1A1CYP1A2CYP2C19PTGDR2
SCHEMBL4645094 0.86 HSD17B10 (0.40) HSD17B10TOP2A
SCHEMBL4644810 0.85 ERN1 (0.44) ERN1ALDH1A1CYP1A2CYP2C19PTGDR2
SCHEMBL4641716 0.84 ERN1 (0.42) ERN1ALDH1A1CYP1A2CYP2C19PTGDR2
SCHEMBL4647388 0.83 ERN1 (0.47) ERN1ALDH1A1CYP1A2CYP2C19PTGDR2
SCHEMBL4647609 0.83 ERN1 (0.41) ERN1ALDH1A1CYP1A2CYP2C19PTGDR2
SCHEMBL4644377 0.83 ERN1 (0.41) ERN1ALDH1A1CYP1A2CYP2C19PTGDR2

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