SCHEMBL4641790

SCHEMBL4641790

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.50
CYP4A11 Q02928 2/20 0.50
MAPT P10636 4/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 7/20 0.42
TDP1 Q9NUW8 1/20 0.42
TNF P01375 1/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 1/20 0.39
MITF O75030 1/20 0.39
ALPG P10696 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALOX15 P16050 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
SCHEMBL4644996 0.97 CYP4F2 (0.49) CYP4F2CYP4A11MAPTKDM4EALDH1A1
SCHEMBL4644322 0.93 CYP4F2 (0.52) CYP4F2CYP4A11MAPTKDM4EALDH1A1
SCHEMBL4643983 0.90 MAPT (0.44) CYP4F2CYP4A11MAPTKDM4EALDH1A1
SCHEMBL4644934 0.90 CYP4F2 (0.50) CYP4F2CYP4A11MAPTKDM4EALDH1A1
SCHEMBL4641524 0.89 MAPT (0.43) CYP4F2CYP4A11MAPTKDM4EALDH1A1
SCHEMBL27601505 0.89 MAPT (0.43) CYP4F2CYP4A11MAPTKDM4EALDH1A1
SCHEMBL4642616 0.88 CYP4F2 (0.45) CYP4F2CYP4A11MAPTKDM4EALDH1A1
SCHEMBL4642309 0.86 CYP4F2 (0.46) CYP4F2CYP4A11MAPTKDM4EALDH1A1
SCHEMBL6984451 0.81 ALDH1A1 (0.55) MAPTKDM4EALDH1A1TDP1TNF
SCHEMBL4641783 0.80 ALDH1A1 (0.41) MAPTKDM4EALDH1A1TDP1TNF

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100519671-C Film-forming polymer and antifouling paint JOTUN AS (NO) 2009-07-29 CN disclosed
EP-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed
CN-1643085-A Film-forming polymer and antifouling paint JOTUN AS (NO) 2005-07-20 CN 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