SCHEMBL4644191

SCHEMBL4644191

CCC[CH]C(=O)Oc1ccc(C=O)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 2/20 0.48
ALDH5A1 P51649 1/20 0.47
ABAT P80404 1/20 0.47
TTR P02766 1/20 0.45
ALDH1A1 P00352 7/20 0.44
LMNA P02545 4/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
VCAM1 P19320 1/20 0.43
MAPT P10636 6/20 0.43
HPGD P15428 3/20 0.43
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GRIN2D O15399 2/20 0.42
GRIN3B O60391 2/20 0.42
GRIN1 Q05586 2/20 0.42
GRIN2A Q12879 2/20 0.42
GRIN2B Q13224 2/20 0.42

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
SCHEMBL4647028 0.90 ALDH3A1 (0.49) ALDH3A1ALDH5A1ABATTTRALDH1A1
SCHEMBL4644132 0.83 ALDH5A1 (0.53) ALDH3A1ALDH5A1ABATTTRALDH1A1
SCHEMBL4642203 0.81 ALDH1A1 (0.51) ALDH1A1LMNAVCAM1MAPTHPGD
SCHEMBL4642526 0.80 ALDH1A1 (0.41) ALDH3A1ALDH5A1ABATALDH1A1MAPT
SCHEMBL4647814 0.80 ALDH5A1 (0.55) ALDH3A1ALDH5A1ABATTTRALDH1A1
SCHEMBL4643807 0.79 ALDH1A1 (0.57) ALDH5A1ABATTTRALDH1A1MAPT
SCHEMBL4641634 0.78 ALDH5A1 (0.53) ALDH3A1ALDH5A1ABATTTRALDH1A1
SCHEMBL4647810 0.77 ALDH5A1 (0.55) ALDH3A1ALDH5A1ABATTTRALDH1A1
SCHEMBL12013081 0.76 ALDH5A1 (0.51) ALDH3A1ALDH5A1ABATTTRALDH1A1
SCHEMBL4641945 0.76 ALDH5A1 (0.51) ALDH3A1ALDH5A1ABATTTRALDH1A1

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