SCHEMBL4641945

SCHEMBL4641945

O=Cc1ccc(OC(=O)CCl)c([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH5A1 P51649 1/20 0.51
ABAT P80404 1/20 0.51
VCAM1 P19320 1/20 0.51
TTR P02766 1/20 0.49
LMNA P02545 4/20 0.46
TOP2A P11388 2/20 0.46
ALDH3A1 P30838 2/20 0.45
ALDH1A1 P00352 6/20 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
MAPT P10636 6/20 0.43
HPGD P15428 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GRIN2D O15399 2/20 0.42
GRIN3B O60391 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
SCHEMBL4642413 0.89 ALDH5A1 (0.49) ALDH5A1ABATVCAM1TTRLMNA
SCHEMBL4641634 0.87 ALDH5A1 (0.53) ALDH5A1ABATVCAM1TTRLMNA
SCHEMBL4642364 0.87 ALDH5A1 (0.47) ALDH5A1ABATVCAM1TTRLMNA
SCHEMBL27691160 0.86 ALDH5A1 (0.51) ALDH5A1ABATVCAM1TTRLMNA
SCHEMBL4644134 0.86 ALDH5A1 (0.51) ALDH5A1ABATVCAM1TTRLMNA
SCHEMBL4645673 0.86 KMT2A (0.46) ALDH5A1ABATVCAM1TTRLMNA
SCHEMBL4642447 0.85 ALDH5A1 (0.50) ALDH5A1ABATVCAM1TTRLMNA
SCHEMBL4647034 0.84 ALDH5A1 (0.49) ALDH5A1ABATVCAM1TTRLMNA
SCHEMBL4642550 0.83 ALDH5A1 (0.48) ALDH5A1ABATVCAM1TTRLMNA
SCHEMBL4644198 0.82 KMT2A (0.47) ALDH5A1ABATVCAM1TTRLMNA

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