SCHEMBL4644930

SCHEMBL4644930

CCOC(=O)C(C)c1ccc(OC(=O)CO)c([N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
MAPT P10636 4/20 0.40
KDM4E B2RXH2 3/20 0.40
LMNA P02545 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
FFAR1 O14842 1/20 0.39
TDP1 Q9NUW8 3/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 2/20 0.38
PDK1 Q15118 1/20 0.38
GRM8 O00222 1/20 0.37
GRM4 Q14833 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
MTOR P42345 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL4644316 0.91 ALDH1A1 (0.42) ALDH1A1MAPTKDM4ELMNAL3MBTL1
SCHEMBL4642306 0.89 ALDH1A1 (0.43) ALDH1A1MAPTKDM4ELMNAL3MBTL1
SCHEMBL4641783 0.89 ALDH1A1 (0.41) ALDH1A1MAPTKDM4ELMNAL3MBTL1
SCHEMBL4644991 0.88 ALDH1A1 (0.40) ALDH1A1MAPTKDM4ELMNAL3MBTL1
SCHEMBL4642614 0.87 TOP2A (0.42) ALDH1A1MAPTKDM4ELMNAL3MBTL1
SCHEMBL4643979 0.85 L3MBTL1 (0.40) ALDH1A1MAPTKDM4ELMNAL3MBTL1
SCHEMBL4641517 0.84 L3MBTL1 (0.40) ALDH1A1MAPTKDM4ELMNAL3MBTL1
SCHEMBL4136743 0.81 MAPT (0.48) ALDH1A1MAPTKDM4ELMNAL3MBTL1
SCHEMBL11679958 0.80 RAB9A (0.46) ALDH1A1MAPTKDM4ELMNAL3MBTL1
SCHEMBL4128141 0.80 ADRB2 (0.49) ALDH1A1MAPTLMNAL3MBTL1TDP1

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