SCHEMBL4645673

SCHEMBL4645673

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
ALDH5A1 P51649 1/20 0.46
ABAT P80404 1/20 0.46
VCAM1 P19320 1/20 0.46
LMNA P02545 5/20 0.45
TTR P02766 1/20 0.44
MAPT P10636 7/20 0.44
ALDH1A1 P00352 7/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
TOP2A P11388 3/20 0.41
ALDH3A1 P30838 2/20 0.40
MEN1 O00255 2/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL4642364 0.96 ALDH5A1 (0.47) KMT2AALDH5A1ABATVCAM1LMNA
SCHEMBL4642413 0.91 ALDH5A1 (0.49) KMT2AALDH5A1ABATVCAM1LMNA
SCHEMBL4641873 0.89 KMT2A (0.47) KMT2AALDH5A1ABATVCAM1LMNA
SCHEMBL4642550 0.88 ALDH5A1 (0.48) KMT2AALDH5A1ABATVCAM1LMNA
SCHEMBL4644198 0.86 KMT2A (0.47) KMT2AALDH5A1ABATVCAM1LMNA
SCHEMBL4641945 0.86 ALDH5A1 (0.51) KMT2AALDH5A1ABATVCAM1LMNA
SCHEMBL4642447 0.85 ALDH5A1 (0.50) KMT2AALDH5A1ABATVCAM1LMNA
SCHEMBL4647034 0.84 ALDH5A1 (0.49) KMT2AALDH5A1ABATVCAM1LMNA
SCHEMBL4641634 0.82 ALDH5A1 (0.53) KMT2AALDH5A1ABATVCAM1LMNA
SCHEMBL27691160 0.81 ALDH5A1 (0.51) KMT2AALDH5A1ABATVCAM1LMNA

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