SCHEMBL4644964

SCHEMBL4644964

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.37
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 5/20 0.32
THRA P10827 4/20 0.32
MAPK1 P28482 1/20 0.31
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
ESR1 P03372 1/20 0.30
NR3C1 P04150 1/20 0.30
PGR P06401 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
SCHEMBL4644795 0.96 ALDH1A1 (0.41) ERN1ALDH1A1CYP1A2CYP2C19PTGDR2
SCHEMBL4645197 0.92 ERN1 (0.44) ERN1ALDH1A1CYP1A2CYP2C19PTGDR2
SCHEMBL4641716 0.87 ERN1 (0.42) ERN1ALDH1A1CYP1A2CYP2C19PTGDR2
SCHEMBL4642396 0.87 HSD17B10 (0.38) KMT2AHSD17B10THRBTHRAMEN1
SCHEMBL4644377 0.86 ERN1 (0.41) ERN1ALDH1A1CYP1A2CYP2C19PTGDR2
SCHEMBL4647609 0.86 ERN1 (0.41) ERN1ALDH1A1CYP1A2CYP2C19PTGDR2
SCHEMBL4641549 0.85 ERN1 (0.46) ERN1ALDH1A1CYP1A2CYP2C19PTGDR2
SCHEMBL4642272 0.84 ERN1 (0.45) ERN1ALDH1A1CYP1A2CYP2C19PTGDR2
SCHEMBL4644810 0.83 ERN1 (0.44) ERN1ALDH1A1CYP1A2CYP2C19PTGDR2
SCHEMBL4642344 0.82 HSD17B10 (0.37) KMT2AHSD17B10THRBTHRAESR1

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