SCHEMBL4641524

SCHEMBL4641524

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 7/20 0.42
TDP1 Q9NUW8 1/20 0.40
TNF P01375 1/20 0.40
ALPG P10696 1/20 0.40
TOP2A P11388 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
ALOX15 P16050 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL4643983 0.97 MAPT (0.44) MAPTKDM4ECYP4F2CYP4A11LMNA
SCHEMBL4642616 0.92 CYP4F2 (0.45) MAPTKDM4ECYP4F2CYP4A11LMNA
SCHEMBL4644996 0.90 CYP4F2 (0.49) MAPTKDM4ECYP4F2CYP4A11LMNA
SCHEMBL27601505 0.89 MAPT (0.43) MAPTKDM4ECYP4F2CYP4A11LMNA
SCHEMBL4641790 0.89 CYP4F2 (0.50) MAPTKDM4ECYP4F2CYP4A11LMNA
SCHEMBL4642309 0.89 CYP4F2 (0.46) MAPTKDM4ECYP4F2CYP4A11LMNA
SCHEMBL4644322 0.87 CYP4F2 (0.52) MAPTKDM4ECYP4F2CYP4A11LMNA
SCHEMBL4644934 0.85 CYP4F2 (0.50) MAPTKDM4ECYP4F2CYP4A11LMNA
SCHEMBL4641517 0.81 L3MBTL1 (0.40) MAPTKDM4ELMNAALDH1A1TDP1
SCHEMBL6984451 0.80 ALDH1A1 (0.55) MAPTKDM4ELMNAALDH1A1TDP1

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