SCHEMBL4644934

SCHEMBL4644934

CCOC(=O)CCc1ccc(OC(=O)CO)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.50
CYP4A11 Q02928 2/20 0.50
ALDH1A1 P00352 8/20 0.44
LMNA P02545 3/20 0.43
MAPT P10636 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MITF O75030 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
CYP4Z1 Q86W10 1/20 0.39
TNF P01375 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
P2RY12 Q9H244 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
SCHEMBL4644322 0.92 CYP4F2 (0.52) CYP4F2CYP4A11ALDH1A1LMNAMAPT
SCHEMBL4641790 0.90 CYP4F2 (0.50) CYP4F2CYP4A11ALDH1A1LMNAMAPT
SCHEMBL4642309 0.89 CYP4F2 (0.46) CYP4F2CYP4A11ALDH1A1LMNAMAPT
SCHEMBL4644996 0.89 CYP4F2 (0.49) CYP4F2CYP4A11ALDH1A1LMNAMAPT
SCHEMBL4642616 0.88 CYP4F2 (0.45) CYP4F2CYP4A11ALDH1A1LMNAMAPT
SCHEMBL4643983 0.86 MAPT (0.44) CYP4F2CYP4A11ALDH1A1LMNAMAPT
SCHEMBL4641524 0.85 MAPT (0.43) CYP4F2CYP4A11ALDH1A1LMNAMAPT
SCHEMBL27601505 0.85 MAPT (0.43) CYP4F2CYP4A11ALDH1A1LMNAMAPT
SCHEMBL4643463 0.81 CYP4F2 (0.52) CYP4F2CYP4A11ALDH1A1LMNAMAPT
SCHEMBL27972753 0.80 CYP4F2 (0.54) CYP4F2CYP4A11ALDH1A1LMNAMAPT

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